SCHEMBL802274

SCHEMBL802274

Cc1ccccc1-c1cc(Nc2n[nH]c3ccccc23)c2cccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CD O00329 3/20 0.42
GRM4 Q14833 10/20 0.42
FADS1 O60427 2/20 0.39
ADRA2A P08913 2/20 0.39
WNT1 P04628 1/20 0.38
TRPA1 O75762 1/20 0.38
MTOR P42345 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
SCHEMBL10266764 0.85 PIP4K2C (0.45) PIK3CAPIK3CBPIK3CGGRM4FADS1
SCHEMBL802671 0.82 FADS1 (0.41) PIK3CAPIK3CBPIK3CGPIK3CDGRM4
SCHEMBL801648 0.81 SYK (0.44) PIK3CAPIK3CBPIK3CGPIK3CDGRM4
SCHEMBL801658 0.81 GRM4 (0.48) PIK3CAGRM4
SCHEMBL802679 0.80 GRM4 (0.44) GRM4
SCHEMBL802329 0.77 VCP (0.38) GRM4FADS1ADRA2ATRPA1
SCHEMBL802674 0.77 GSK3A (0.44) PIK3CAPIK3CBPIK3CGPIK3CDGRM4
SCHEMBL13055191 0.76 PIK3CA (0.37) PIK3CAPIK3CBPIK3CGGRM4FADS1
SCHEMBL802280 0.76 FADS1 (0.42) PIK3CAPIK3CBPIK3CGPIK3CDGRM4
SCHEMBL802326 0.76 FADS1 (0.48) PIK3CAPIK3CBPIK3CGPIK3CDGRM4

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PIK3CA 246/4885PIK3CB 476/4885PIK3CG 481/4885

“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.