SCHEMBL10100535

SCHEMBL10100535

CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
FYN P06241 2/20 0.42
CHEK2 O96017 8/20 0.39
KDR P35968 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
CYP2A6 P11509 1/20 0.35
CHEK1 O14757 1/20 0.35
TLR7 Q9NYK1 3/20 0.33
KCNN4 O15554 2/20 0.33

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
SCHEMBL10100590 0.97 EPHX2 (0.43) EPHX2FYNCHEK2KDRFLT1
SCHEMBL10100775 0.91 EPHX2 (0.42) EPHX2FYNCHEK2KDRFLT1
SCHEMBL10100492 0.89 EPHX2 (0.42) EPHX2FYNCHEK2CYP2A6CHEK1
SCHEMBL10100542 0.88 FYN (0.44) FYNCHEK2KDRTLR7KCNN4
SCHEMBL10100554 0.86 FYN (0.38) FYNCHEK2TLR7KCNN4
SCHEMBL10100526 0.86 FYN (0.39) FYNCHEK2TLR7KCNN4
SCHEMBL10100539 0.86 FYN (0.46) FYNCHEK2KDRTLR7KCNN4
SCHEMBL10100738 0.86 FYN (0.44) FYNCHEK2KDRTLR7KCNN4
SCHEMBL10100515 0.85 LRRK2 (0.41) FYNCHEK2KDR
SCHEMBL10100584 0.85 FYN (0.41) FYNCHEK2TLR7KCNN4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 EPHX2 2778/4885FYN 532/4885CHEK2 109/4885

“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.