SCHEMBL16320232

SCHEMBL16320232

Cc1cc(Nc2cc(N(C)C)n[nH]2)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.45
KDR P35968 8/20 0.44
BRAF P15056 7/20 0.43
MAPK14 Q16539 1/20 0.43
CDK8 P49336 3/20 0.42
CCNC P24863 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT3 P36888 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
AURKB Q96GD4 1/20 0.41
SLC2A1 P11166 1/20 0.41
RAF1 P04049 1/20 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
SCHEMBL16319466 0.91 LMNA (0.39) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319897 0.91 IGF1R (0.45) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319899 0.91 TEK (0.46) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319852 0.91 TEK (0.46) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319723 0.89 TEK (0.44) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319616 0.89 TEK (0.46) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319967 0.89 TEK (0.45) TEKKDRBRAFMAPK14CDK8
SCHEMBL16320016 0.89 TEK (0.45) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319853 0.89 TEK (0.45) TEKKDRBRAFMAPK14CDK8
SCHEMBL16319950 0.88 TEK (0.46) TEKKDRBRAFMAPK14CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221798-B2 4-substituted-(3-substituted-1H-pyrazole-5-amino)-pyrimidine derivatives having activity of inhibiting protein kinase and use thereof Zhejian Hisun Pharmaceutical Co., Ltd. (CN) 2015-12-29 US disclosed
US-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-12-25 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 (1 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-20140378488-A1 4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF MAP4K2, MAP4K1, MAP4K3 TEK 984/4885KDR 550/4885BRAF 84/4885

“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.