SCHEMBL301172

SCHEMBL301172

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cnc4nc[nH]c4c3)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.67
▸ GLA P06280 2/20 0.67
▸ ALDH1A1 P00352 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ USP2 O75604 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CSNK2A1 P68400 5/20 0.51
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ BRCA1 P38398 1/20 0.51

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
SCHEMBL300835 0.88 KDM4E (0.68) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL301263 0.87 KDM4E (0.49) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300857 0.85 CSNK2A1 (0.48) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL27775377 0.85 CSNK2A1 (0.69) KDM4EALDH1A1HPGDGAAUSP2
SCHEMBL301251 0.83 KDM4E (0.69) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300869 0.83 KDM4E (0.76) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL15206622 0.83 KDM4E (0.43) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL298237 0.83 KDM4E (0.75) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL290444 0.82 KDM4E (0.70) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL301174 0.82 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 30 patents — showing the first 20. 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
EP-2908814-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-08-26 — — EP disclosed
EP-2909627-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY Signal Pharmaceuticals, LLC (US) 2015-08-26 — — EP disclosed
EP-2825169-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 — — EP disclosed
EP-2825170-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 — — EP disclosed
EP-2825171-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 — — EP disclosed
EP-2825168-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-01-21 — — EP disclosed
WO-2013126636-A1 METHODS FOR TREATING NON- SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 — — WO disclosed
WO-2013059396-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 — — WO disclosed
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 — — US disclosed
WO-2013019927-A1 IDENTIFICATION OF GENE EXPRESSION PROFILE AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-07 — — WO disclosed
EP-2531194-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2012-12-12 — — EP 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 — — US disclosed
WO-2011097333-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2011-08-11 — — WO disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 — — US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 — — 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 KDM4E 1690/4885GLA 2209/4885ALDH1A1 2430/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885GLA 2608/4885ALDH1A1 2113/4885

“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.

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