SCHEMBL10100604

SCHEMBL10100604

CN(C)CCOc1cc(F)c(-n2nnnc2-c2cc(-c3ccsc3)cnc2N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
CHEK2 O96017 8/20 0.41
CYP2A6 P11509 1/20 0.38
KDR P35968 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
CHEK1 O14757 2/20 0.37
TLR7 Q9NYK1 4/20 0.35
FYN P06241 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL10100786 0.96 EPHX2 (0.42) EPHX2CHEK2CYP2A6KDRFLT1
SCHEMBL10100606 0.85 CHEK1 (0.38) CHEK2CHEK1TLR7FYNNTRK1
SCHEMBL10100607 0.84 GRIN2B (0.36) CHEK2TLR7FYNNTRK1
SCHEMBL10100602 0.83 LRRK2 (0.41) KDR
SCHEMBL10100590 0.83 EPHX2 (0.43) EPHX2CHEK2CYP2A6KDRFLT1
SCHEMBL10100775 0.82 EPHX2 (0.42) EPHX2CHEK2CYP2A6KDRFLT1
SCHEMBL10100603 0.82 LRRK2 (0.45) TLR7
SCHEMBL10100619 0.81 MAPK1 (0.39)
SCHEMBL10100535 0.80 EPHX2 (0.42) EPHX2CHEK2CYP2A6KDRFLT1
SCHEMBL10100785 0.80 LRRK2 (0.40)

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 4 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
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 2778/4885CHEK2 109/4885CYP2A6 4181/4885

“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.