SCHEMBL298237

SCHEMBL298237

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(C(N)=O)c3)nc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.75
GLA P06280 2/20 0.75
ALDH1A1 P00352 3/20 0.73
HPGD P15428 3/20 0.73
GAA P10253 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CSNK2A1 P68400 10/20 0.65
USP2 O75604 2/20 0.63
TSHR P16473 2/20 0.63
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
ESR1 P03372 1/20 0.63
TP53 P04637 1/20 0.63
HTT P42858 1/20 0.63
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
HSD17B10 Q99714 2/20 0.60
BRCA1 P38398 1/20 0.60

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
SCHEMBL301153 0.94 CSNK2A1 (0.73) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL15210094 0.94 KDM4E (0.68) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL297362 0.94 KDM4E (0.72) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300813 0.92 KDM4E (0.74) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300825 0.89 KDM4E (0.82) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300901 0.89 KDM4E (0.73) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL297473 0.89 KDM4E (0.73) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL298073 0.88 KDM4E (0.70) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL1750398 0.88 KDM4E (0.70) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL301261 0.88 KDM4E (0.70) KDM4EGLAALDH1A1HPGDGAA

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 19 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
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2021-11-09 US disclosed
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
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed
US-20180235960-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2018-08-23 US disclosed
US-9937170-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2018-04-10 US disclosed
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2017-02-02 US 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
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN 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-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
CN-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN 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

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

For each of this compound's patents that has machine-readable text (8 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 1384/4885GLA 2565/4885ALDH1A1 4555/4885
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 KDM4E 3306/4885GLA 3236/4885ALDH1A1 3059/4885
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR KDM4E 877/4885GLA 3723/4885ALDH1A1 4675/4885
US-20130245026-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, CHEK2, CHEK1 KDM4E 2384/4885GLA 2713/4885ALDH1A1 4280/4885
US-20180235960-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR KDM4E 877/4885GLA 3723/4885ALDH1A1 4675/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR KDM4E 877/4885GLA 3723/4885ALDH1A1 4675/4885
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, TNNI3K KDM4E 1874/4885GLA 2002/4885ALDH1A1 4005/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR KDM4E 877/4885GLA 3723/4885ALDH1A1 4675/4885

“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.