SCHEMBL13107844

SCHEMBL13107844

FCc1ccccc1-c1nc(Nc2n[nH]c3cc(F)ccc23)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 3/20 0.46
▸ USP1 O94782 1/20 0.45
▸ WDR48 Q8TAF3 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 5/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ CYP2D6 P10635 5/20 0.44
▸ TSHR P16473 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL13107211 0.92 USP1 (0.45) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107395 0.90 CYP1A2 (0.47) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107400 0.90 CYP1A2 (0.42) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107215 0.84 CYP1A2 (0.42) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107396 0.84 FADS1 (0.43) USP1WDR48MAPTMAPK1POLB
SCHEMBL14393870 0.83 USP1 (0.45) USP1WDR48MAPTMAPK1POLB
SCHEMBL786464 0.83 USP1 (0.64) USP1WDR48MAPTCYP1A2CYP3A4
SCHEMBL13107398 0.83 CYP1A2 (0.47) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107349 0.82 MAPT (0.47) USP1WDR48MAPTMAPK1POLB
SCHEMBL13107212 0.82 MAPT (0.49) USP1WDR48MAPTMAPK1POLB

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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MAP2K4 95/4885USP1 3754/4885WDR48 1820/4885

“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.

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