SCHEMBL16319588

SCHEMBL16319588

Cc1cc(Nc2cc(-c3cccs3)n[nH]2)nc(Cc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.41
RAF1 P04049 3/20 0.41
KDR P35968 6/20 0.40
TEK Q02763 1/20 0.39
MAPK14 Q16539 1/20 0.38
AURKB Q96GD4 2/20 0.38
EIF2AK2 P19525 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PDGFRB P09619 1/20 0.38
CDK8 P49336 3/20 0.38
CCNC P24863 1/20 0.38
BLM P54132 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
SCHEMBL16320436 0.89 BRAF (0.48) BRAFRAF1KDRTEKMAPK14
SCHEMBL16320227 0.88 TEK (0.44) BRAFRAF1KDRTEKEIF2AK2
SCHEMBL16320357 0.88 BRAF (0.43) BRAFRAF1KDRTEKMAPK14
SCHEMBL16319909 0.87 BRAF (0.44) BRAFRAF1KDRTEKMAPK14
SCHEMBL16320017 0.87 TEK (0.44) BRAFRAF1KDRTEKAURKB
SCHEMBL16319823 0.87 BRAF (0.41) BRAFRAF1KDRTEKMAPK14
SCHEMBL16319931 0.86 TEK (0.43) BRAFRAF1KDRTEKAURKB
SCHEMBL16319871 0.85 TEK (0.43) BRAFRAF1KDRTEKAURKB
SCHEMBL16319673 0.85 TEK (0.43) BRAFRAF1KDRTEKMAPK14
SCHEMBL16319694 0.85 TEK (0.43) BRAFRAF1KDRTEKAURKB

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 BRAF 84/4885RAF1 53/4885KDR 550/4885

“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.