SCHEMBL2980649

SCHEMBL2980649

CSc1ncc(C#N)c(-c2cccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CDK1 P06493 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 8/20 0.47
PRNP P04156 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 5/20 0.41

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
SCHEMBL2986598 0.80 NPC1 (0.43) CYP1A2CYP2C19CYP3A4CYP2C9KDM4E
SCHEMBL6440667 0.78 ADORA2A (0.59) CYP1A2CYP2C19CYP3A4CYP2C9CDK1
SCHEMBL9438517 0.77 ADORA2A (0.60) CDK1KDRKDM4EALDH1A1MAPT
SCHEMBL2981824 0.76 CDK1 (0.47) CYP1A2CYP2C19CYP3A4CYP2C9CDK1
SCHEMBL11066262 0.75 MAPT (0.48) CYP1A2CYP2C19CYP3A4CYP2C9CDK1
SCHEMBL2988380 0.73 AKT1 (0.38) CYP1A2CYP2C19CYP3A4CYP2C9KDM4E
SCHEMBL2986891 0.73 MEN1 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9KDM4E
SCHEMBL23849983 0.72 ACMSD (0.61) CYP2C19CDK1KDRKDM4EALDH1A1
SCHEMBL31053405 0.72 ACMSD (0.61) CYP2C19CDK1KDRKDM4EALDH1A1
SCHEMBL28358205 0.71 CDK1 (0.44) CYP1A2CYP2C19CYP3A4CYP2C9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 CYP1A2 4124/4885CYP2C19 4063/4885CYP3A4 4506/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CYP1A2 4124/4885CYP2C19 4063/4885CYP3A4 4506/4885

“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.