SCHEMBL10100600

SCHEMBL10100600

Nc1ncc(-c2ccsc2)cc1-c1nnnn1-c1ccc(N2CCNCC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ACVR1 Q04771 11/20 0.39
RIPK2 O43353 1/20 0.39
NOD2 Q9HC29 1/20 0.39
CHEK2 O96017 5/20 0.38
CHEK1 O14757 1/20 0.38
TGFBR1 P36897 11/20 0.38
CYP2A6 P11509 1/20 0.36
MTOR P42345 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
SCHEMBL10100782 0.94 EPHX2 (0.43) EPHX2ACVR1RIPK2NOD2CHEK2
SCHEMBL10100601 0.84 TGFBR1 (0.36) ACVR1RIPK2NOD2TGFBR1
SCHEMBL2357723 0.84 LRRK2 (0.44) ACVR1RIPK2NOD2TGFBR1
SCHEMBL982912 0.81 EPHX2 (0.47) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100637 0.80 ALOX5AP (0.40) EPHX2CHEK2CHEK1
SCHEMBL10100784 0.79 TGFBR1 (0.35) ACVR1RIPK2NOD2TGFBR1
SCHEMBL10100781 0.79 LRRK2 (0.43) ACVR1RIPK2NOD2TGFBR1
SCHEMBL10100792 0.79 EPHX2 (0.40) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100590 0.78 EPHX2 (0.43) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100635 0.77 EPHX2 (0.38) EPHX2CHEK2CHEK1CYP2A6

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 2778/4885ACVR1 576/4885RIPK2 1117/4885

“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.