SCHEMBL10312178

SCHEMBL10312178

CP(C)(=O)c1ccc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
IGF1R P08069 16/20 0.42
ULK1 O75385 1/20 0.39
NEK1 Q96PY6 1/20 0.39
SRC P12931 1/20 0.37

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
SCHEMBL10312087 0.90 IGF1R (0.43) IGF1RULK1NEK1SRC
SCHEMBL10312162 0.88 IGF1R (0.45) CCNA2CDK2CCNA1IGF1RULK1
SCHEMBL10312077 0.88 DHODH (0.46) SRC
SCHEMBL10312098 0.86 IDH2 (0.37) SRC
SCHEMBL10312192 0.82 IGF1R (0.46) CCNA2CDK2CCNA1IGF1RNEK1
SCHEMBL10312191 0.80 IGF1R (0.51) CCNA2CDK2CCNA1IGF1R
SCHEMBL10312186 0.79 IGF1R (0.53) CCNA2CDK2CCNA1IGF1R
SCHEMBL10312185 0.79 NTRK1 (0.47) CCNA2CDK2CCNA1IGF1R
SCHEMBL10312180 0.79 HRH4 (0.48) CCNA2CDK2CCNA1IGF1R
SCHEMBL10312076 0.78 HRH4 (0.59) CCNA2CDK2CCNA1IGF1RSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 CCNA2 1229/4885CDK2 225/4885CCNA1 1801/4885

“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.