SCHEMBL802183

SCHEMBL802183

Cc1cnc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2c(F)cc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 12/20 0.43
WDR48 Q8TAF3 12/20 0.43
CYP1A2 P05177 5/20 0.41
CYP2D6 P10635 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.40
TRPA1 O75762 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 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
SCHEMBL786155 0.85 USP1 (0.45) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL10267420 0.85 USP1 (0.41) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786104 0.83 USP1 (0.62) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL785619 0.82 PIP4K2C (0.58) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL12619087 0.81 PIP4K2C (0.46) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL10267538 0.81 USP1 (0.43) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL785425 0.80 USP1 (0.45) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786187 0.80 USP1 (0.43) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL785672 0.80 USP1 (0.44) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL786742 0.80 USP1 (0.44) USP1WDR48CYP1A2CYP2D6CYP2C19

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 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.