SCHEMBL135691

SCHEMBL135691

CC(C)(C)c1ccc(C2=NCC=N2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
HTR1D P28221 1/20 0.43
ADRA1A P35348 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 2/20 0.37
KDM4E B2RXH2 4/20 0.36
XDH P47989 1/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYR P14679 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6722717 0.78 NISCH (0.38) NISCHNPC1RAB9AKDM4ETP53
SCHEMBL16418615 0.75
SCHEMBL135687 0.75 KIF11 (0.32) KIF11
SCHEMBL14008987 0.73 KIF11 (0.44) KIF11HTR1DADRA1ANISCHNPC1
SCHEMBL26915 0.68 KIF11 (0.70) KIF11HTR1DADRA1ANISCHNPC1
SCHEMBL3423876 0.68 KIF11 (0.70) KIF11HTR1DADRA1ANISCHNPC1
Lithium SCHEMBL29536927 0.66 KIF11 (0.67) KIF11HTR1DADRA1ANISCHNPC1
Lithium SCHEMBL30081449 0.66 KIF11 (0.67) KIF11HTR1DADRA1ANISCHNPC1
SCHEMBL1931781 0.66 KIF11 (0.67) KIF11HTR1DADRA1ANISCHNPC1
SCHEMBL3999289 0.66 KIF11 (1.00) KIF11HTR1DADRA1ANISCHNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185361-A1 METHODS FOR TREATING CANCER USING DIHYDROPYRAZINO-PYRAZINE COMPOUND COMBINATION THERAPY SIGNAL PHARM LLC (US) 2018-07-05 US disclosed
US-10004735-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2018-06-26 US disclosed
US-9980963-B2 Treatment of cancer with dihydropyrazino-pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2018-05-29 US disclosed
US-9937170-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2018-04-10 US disclosed
US-20170342080-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2017-11-30 US disclosed
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES SIGNAL PHARM LLC (US) 2017-11-02 US disclosed
US-9782427-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-10 US disclosed
US-9737535-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-22 US disclosed
US-20170182044-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES SIGNAL PHARM LLC (US) 2017-06-29 US disclosed
US-9630966-B2 Treatment of cancer with dihydropyrazino-pyrazines SIGNAL PHARMACEUTICALS, LLC (US) 2017-04-25 US disclosed
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245027-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-8507492-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitor for oncology indications and diseases associated with the mTOR/PI3K/AKT pathway SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-13 US disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-08 US disclosed
US-8110578-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitors for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-07 US disclosed
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC 2011-10-20 US disclosed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130245027-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, BRCA1 KIF11 1800/4885HTR1D 4502/4885ADRA1A 4268/4885
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 KIF11 1610/4885HTR1D 4865/4885ADRA1A 4642/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR KIF11 4707/4885HTR1D 2991/4885ADRA1A 3935/4885
US-20170182044-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES MGMT, DNMT1, TPMT KIF11 2380/4885HTR1D 4556/4885ADRA1A 4641/4885
US-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY DCK, DTYMK, MTOR KIF11 2418/4885HTR1D 4680/4885ADRA1A 4544/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 KIF11 1051/4885HTR1D 4864/4885ADRA1A 4806/4885
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS EWSR1, ELF3, MTOR KIF11 2048/4885HTR1D 4666/4885ADRA1A 4518/4885
US-10004735-B2 Methods for treating cancer using TOR kinase inhibitor combination therapy comprising administering substituted pyrazino[2,3-b]pyrazines MTOR, ULK2, TTK KIF11 1459/4885HTR1D 4688/4885ADRA1A 4620/4885
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS ELF3, ERG, MTOR KIF11 2363/4885HTR1D 4752/4885ADRA1A 4100/4885
US-20180185361-A1 METHODS FOR TREATING CANCER USING DIHYDROPYRAZINO-PYRAZINE COMPOUND COMBINATION THERAPY AR, NR5A2, GNRHR KIF11 935/4885HTR1D 2872/4885ADRA1A 741/4885
US-20170342080-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR KIF11 4674/4885HTR1D 2967/4885ADRA1A 3733/4885
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES MTOR, ULK2, TTK KIF11 1459/4885HTR1D 4688/4885ADRA1A 4620/4885
US-20120059164-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR KIF11 4676/4885HTR1D 2970/4885ADRA1A 3734/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.