SCHEMBL16320406

SCHEMBL16320406

Cc1cc(Nc2cc(C#N)n[nH]2)nc(Nc2ccc(NC(=O)N(S)c3ccc(Cl)c(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
CDK8 P49336 3/20 0.34
IGF1R P08069 1/20 0.34
BTK Q06187 1/20 0.33
BRAF P15056 5/20 0.33
TEK Q02763 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 4/20 0.33
MAPK14 Q16539 1/20 0.32
RAF1 P04049 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL16319996 0.93 IGF1R (0.34) KDRCDK8IGF1RBTKBRAF
SCHEMBL16320252 0.90 IGF1R (0.35) KDRCDK8IGF1RBTKBRAF
SCHEMBL16320149 0.90 BTK (0.36) CDK8IGF1RBTKBRAFTEK
SCHEMBL16319467 0.89 IGF1R (0.35) KDRCDK8IGF1RBTKBRAF
SCHEMBL16319940 0.88 ABL1 (0.35) KDRCDK8IGF1RBTKBRAF
SCHEMBL16319707 0.88 IGF1R (0.34) KDRCDK8IGF1RBTKBRAF
SCHEMBL16320438 0.88 IGF1R (0.34) KDRCDK8IGF1RBTKBRAF
SCHEMBL16319838 0.88 KDR (0.39) KDRCDK8IGF1RBTKBRAF
SCHEMBL16320464 0.88 ABL1 (0.35) KDRCDK8IGF1RBTKBRAF
SCHEMBL16319942 0.88 TEK (0.38) KDRCDK8IGF1RBTKBRAF

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 KDR 550/4885CDK8 124/4885IGF1R 950/4885

“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.