SCHEMBL1503877

SCHEMBL1503877

CSc1ncc2c(n1)CN(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCNA2 P20248 7/20 0.39
CDK2 P24941 7/20 0.39
HSP90AA1 P07900 3/20 0.39
KDR P35968 3/20 0.38
HSP90B1 P14625 1/20 0.38
PDGFRB P09619 1/20 0.37
PIM1 P11309 2/20 0.36
TTK P33981 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL786050 0.87 KDR (0.45) MEN1KMT2ACCNA2CDK2HSP90AA1
SCHEMBL30675356 0.87 MAPK1 (0.41) MEN1KMT2ACCNA2CDK2KDR
SCHEMBL741949 0.81 CCNA2 (0.53) CCNA2CDK2KDRPDGFRB
SCHEMBL8207690 0.78 HSP90AA1 (0.43) KMT2AHSP90AA1HSP90B1PDGFRB
SCHEMBL19505047 0.77 FGFR4 (0.41) MEN1KMT2ACCNA2CDK2KDR
SCHEMBL15530492 0.76 HSP90AB1 (0.47) MEN1KMT2AHSP90AA1KDRHSP90B1
SCHEMBL21591611 0.76 HSP90AA1 (0.44) KMT2AHSP90AA1HSP90B1PDGFRB
SCHEMBL28415218 0.76 HSP90AA1 (0.39) KMT2AHSP90AA1HSP90B1PDGFRB
SCHEMBL15880939 0.76 MEN1 (0.38) MEN1KMT2ACCNA2CDK2PIM1
SCHEMBL19553456 0.76 FGFR4 (0.46) MEN1KMT2ACCNA2CDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250135-B Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof 四川科伦博泰生物医药股份有限公司 2020-05-26 CN claimed
CN-107250135-B Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof 四川科伦博泰生物医药股份有限公司 2020-05-26 CN disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1888066-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-01-11 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-7906649-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MEN1 531/4885KMT2A 3061/4885CCNA2 943/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MEN1 457/4885KMT2A 3485/4885CCNA2 1469/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R MEN1 457/4885KMT2A 3485/4885CCNA2 1469/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MEN1 457/4885KMT2A 3485/4885CCNA2 1469/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R MEN1 507/4885KMT2A 3179/4885CCNA2 1657/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MEN1 457/4885KMT2A 3485/4885CCNA2 1469/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MEN1 1094/4885KMT2A 1453/4885CCNA2 1975/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MEN1 602/4885KMT2A 3461/4885CCNA2 1483/4885

“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.