SCHEMBL785706

SCHEMBL785706

CSc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
PDGFRB P09619 2/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
KDR P35968 3/20 0.43
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 1/20 0.40
HPGDS O60760 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HSP90AA1 P07900 2/20 0.38
GRM5 P41594 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL741949 0.89 CCNA2 (0.53) MAPTCCNA2CDK2ESR2NR1H2
SCHEMBL4869824 0.84 MAPT (0.67) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL25574538 0.84 MAPT (0.67) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL30378007 0.84 MAPT (0.67) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL29757600 0.83 MAPT (0.65) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL3530060 0.83 MAPT (0.65) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL17183931 0.83 MAPT (0.65) MAPTESR2NR1H2PDGFRBDDB1
SCHEMBL19475563 0.83 MAPT (0.65) MAPTCCNA2CDK2ESR2NR1H2
SCHEMBL786050 0.82 KDR (0.45) MAPTCCNA2CDK2PDGFRBKDR
SCHEMBL3878893 0.82 MAPT (0.64) MAPTESR2NR1H2PDGFRBDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945623-B1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2018-09-05 EP disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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 (5 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MAPT 4390/4885CCNA2 943/4885CDK2 557/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 MAPT 4665/4885CCNA2 861/4885CDK2 505/4885
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 MAPT 2008/4885CCNA2 624/4885CDK2 32/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 MAPT 2008/4885CCNA2 624/4885CDK2 32/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPT 3149/4885CCNA2 819/4885CDK2 1098/4885

“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.