SCHEMBL296461

SCHEMBL296461

COC(=O)c1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
ALDH1A1 P00352 3/20 0.81
HPGD P15428 3/20 0.81
GLA P06280 2/20 0.81
GAA P10253 2/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
CSNK2A1 P68400 6/20 0.60
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
USP2 O75604 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
ESR1 P03372 1/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
HDAC3 O15379 5/20 0.58
HDAC4 P56524 5/20 0.58

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
SCHEMBL300825 0.93 KDM4E (0.82) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300924 0.91 KDM4E (0.80) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL291560 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL19254092 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL297362 0.90 KDM4E (0.72) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL301283 0.89 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL297560 0.88 KDM4E (0.86) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL301183 0.88 KDM4E (0.86) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1750414 0.87 KDM4E (0.79) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300856 0.87 KDM4E (0.76) KDM4EALDH1A1HPGDGLAGAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-107976546-B Inhibition of phosphorylation of TOR kinase inhibitory Activity markers PRAS40, GSK 3-beta, or P70S6K1 西格诺药品有限公司 2020-10-27 CN disclosed
CN-110721186-A Treatment of prostate cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-24 CN disclosed
CN-107157990-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-07 CN disclosed
US-9555033-B2 Identification of LKB1 mutation as a predictive biomarker for sensitivity to TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 US disclosed
US-9493466-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2016-11-15 US disclosed
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-04-24 US disclosed
US-20130245026-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-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 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-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO 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 (10 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 KDM4E 1384/4885ALDH1A1 4555/4885HPGD 2421/4885
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 KDM4E 3306/4885ALDH1A1 3059/4885HPGD 1293/4885
US-20130245026-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, CHEK2, CHEK1 KDM4E 2384/4885ALDH1A1 4280/4885HPGD 1942/4885
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 KDM4E 1690/4885ALDH1A1 2430/4885HPGD 1819/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 KDM4E 2984/4885ALDH1A1 3436/4885HPGD 936/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR KDM4E 877/4885ALDH1A1 4675/4885HPGD 2833/4885
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS EWSR1, ELF3, MTOR KDM4E 851/4885ALDH1A1 3832/4885HPGD 3763/4885
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS ELF3, ERG, MTOR KDM4E 664/4885ALDH1A1 4026/4885HPGD 3172/4885
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, TNNI3K KDM4E 1874/4885ALDH1A1 4005/4885HPGD 1595/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885ALDH1A1 2113/4885HPGD 1325/4885

“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.