SCHEMBL801907

SCHEMBL801907

O=C(OCc1ccccc1)N1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.45
EGFR P00533 5/20 0.45
MAPK10 P53779 11/20 0.44
MAPK8 P45983 7/20 0.44
SRC P12931 2/20 0.43
AURKA O14965 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39

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
SCHEMBL801904 0.87 USP30 (0.43) FLT3MAPK10MAPK8USP1WDR48
SCHEMBL802082 0.86 EGFR (0.54) FLT3EGFRMAPK10MAPK8SRC
SCHEMBL12619136 0.86 MAPK10 (0.41) FLT3MAPK10MAPK8USP1WDR48
SCHEMBL802156 0.84 FLT3 (0.42) FLT3MAPK10MAPK8USP1WDR48
SCHEMBL801532 0.82 EGFR (0.57) EGFRSRCAURKAUSP1WDR48
SCHEMBL13962754 0.82 EGFR (0.47) EGFRMAPK10MAPK8SRCUSP1
SCHEMBL802069 0.81 MAPK10 (0.39) FLT3MAPK10MAPK8USP1WDR48
SCHEMBL802171 0.81 CYP1A2 (0.53) EGFRMAPK10MAPK8SRCUSP1
SCHEMBL802081 0.80 USP1 (0.51) EGFRSRCUSP1WDR48
SCHEMBL12653478 0.80 EGFR (0.48) EGFRMAPK10MAPK8SRCAURKA

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 8 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-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (2 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 FLT3 585/4885EGFR 154/4885MAPK10 828/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A FLT3 550/4885EGFR 305/4885MAPK10 1031/4885

“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.