SCHEMBL16320222

SCHEMBL16320222

Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc(NC(=O)N(S)c3ccc(Cl)c(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.41
BRAF P15056 4/20 0.35
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
RAF1 P04049 1/20 0.35
BTK Q06187 1/20 0.34
KDR P35968 2/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL16319544 0.97 IGF1R (0.38) IGF1RBRAFABL1BCRRAF1
SCHEMBL16320149 0.89 BTK (0.36) IGF1RBRAFABL1BCRRAF1
SCHEMBL16320252 0.89 IGF1R (0.35) IGF1RBRAFABL1BCRRAF1
SCHEMBL16319467 0.89 IGF1R (0.35) IGF1RBRAFABL1BCRRAF1
SCHEMBL16319831 0.88 BRAF (0.39) IGF1RBRAFABL1BCRRAF1
SCHEMBL16319940 0.88 ABL1 (0.35) IGF1RBRAFABL1BCRRAF1
SCHEMBL16320438 0.88 IGF1R (0.34) IGF1RBRAFABL1BCRBTK
SCHEMBL16319838 0.88 KDR (0.39) IGF1RBRAFRAF1BTKKDR
SCHEMBL16319707 0.88 IGF1R (0.34) IGF1RBRAFABL1BCRBTK
SCHEMBL16320464 0.87 ABL1 (0.35) IGF1RBRAFABL1BCRRAF1

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 IGF1R 950/4885BRAF 84/4885ABL1 146/4885

“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.