SCHEMBL1939792

SCHEMBL1939792

N#CC1CCN(c2c(Cl)cncc2-c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK8 P49336 6/20 0.37
CCNC P24863 4/20 0.37
SSTR5 P35346 3/20 0.37
CYP3A4 P08684 2/20 0.36
SSTR2 P30874 2/20 0.35
KCNH2 Q12809 1/20 0.35
CTSS P25774 1/20 0.35
CDK19 Q9BWU1 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NOTUM Q6P988 1/20 0.34
TNKS O95271 1/20 0.34
CYP2C9 P11712 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL2261598 1.00 ATR (0.44) ATRKDM4EALDH1A1CDK8CCNC
SCHEMBL1939787 1.00 ATR (0.44) ATRKDM4EALDH1A1CDK8CCNC
SCHEMBL1938769 0.93 KDM4E (0.46) ATRKDM4EALDH1A1CDK8CCNC
SCHEMBL1939466 0.84 CYP3A4 (0.48) ATRKDM4EALDH1A1CYP3A4CTSS
SCHEMBL1938086 0.84 CYP3A4 (0.48) ATRKDM4EALDH1A1CYP3A4CTSS
SCHEMBL2261273 0.84 CYP3A4 (0.48) ATRKDM4EALDH1A1CYP3A4CTSS
SCHEMBL15791333 0.78 ATR (0.48) ATRKDM4EALDH1A1SSTR5CYP3A4
SCHEMBL13419068 0.78 SSTR2 (0.53) CDK8CCNCCYP3A4SSTR2KCNH2
SCHEMBL15990595 0.78 ATR (0.48) ATRKDM4EALDH1A1SSTR5CYP3A4
SCHEMBL1940049 0.76 CYP3A4 (0.61) ALDH1A1CYP3A4SSTR2KCNH2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US claimed
EP-2331523-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2011-06-15 EP claimed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 US disclosed
WO-2010041054-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-04-15 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 (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-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ATR 1083/4885KDM4E 1624/4885ALDH1A1 1376/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ATR 1083/4885KDM4E 1624/4885ALDH1A1 1376/4885

“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.