SCHEMBL802475

SCHEMBL802475

Cc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2oncc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.42
CYP1A2 P05177 10/20 0.41
CYP3A4 P08684 9/20 0.41
HSD17B10 Q99714 8/20 0.41
CLK4 Q9HAZ1 6/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 4/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 7/20 0.40
CYP2C19 P33261 3/20 0.40
USP2 O75604 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 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
SCHEMBL805542 0.88 USP1 (0.46) CYP1A2CYP3A4HSD17B10ALDH1A1ALOX15
SCHEMBL801894 0.79 EGFR (0.41) EGFRCYP1A2CYP3A4HSD17B10CLK4
SCHEMBL801502 0.77 AURKA (0.50) CYP1A2CYP3A4HSD17B10CLK4ALDH1A1
SCHEMBL802046 0.77 PRKD3 (0.41) EGFRCYP1A2CYP3A4HSD17B10CLK4
SCHEMBL802375 0.75 ALDH1A1 (0.42) EGFRCYP1A2CYP3A4HSD17B10CLK4
SCHEMBL802515 0.75 MAPT (0.49) CYP1A2CYP3A4HSD17B10CLK4ALDH1A1
SCHEMBL801542 0.75 CYP1A2 (0.60) CYP1A2CYP3A4HSD17B10CLK4ALDH1A1
SCHEMBL785995 0.74 CYP1A2 (0.53) CYP1A2CYP3A4HSD17B10CLK4ALDH1A1
SCHEMBL786263 0.74 MAPT (0.48) CYP1A2CYP3A4HSD17B10CLK4ALDH1A1
SCHEMBL802123 0.74 MEN1 (0.57) EGFRLMNAMEN1KMT2AMAPT

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-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 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 EGFR 154/4885CYP1A2 3042/4885CYP3A4 2929/4885

“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.