SCHEMBL801908

SCHEMBL801908

CC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 9/20 0.41
WDR48 Q8TAF3 9/20 0.41
CYP1A2 P05177 7/20 0.40
CYP2C19 P33261 7/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 4/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LCK P06239 1/20 0.39
ITK Q08881 1/20 0.39
AURKB Q96GD4 1/20 0.39
RECQL P46063 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL801899 0.90 USP1 (0.40) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL786010 0.88 USP1 (0.49) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL958497 0.87 CYP1A2 (0.43) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL802072 0.87 CYP1A2 (0.39) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL802078 0.87 HCRTR2 (0.38) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL801495 0.84 CYP1A2 (0.48) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL802489 0.81 LCK (0.37) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL786723 0.81 CYP1A2 (0.45) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL805568 0.80 CYP1A2 (0.41) USP1WDR48CYP1A2CYP2C19CYP3A4
SCHEMBL13962987 0.80 CYP1A2 (0.42) USP1WDR48CYP1A2CYP2C19CYP3A4

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 3 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
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 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 USP1 3070/4885WDR48 1491/4885CYP1A2 3042/4885

“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.