SCHEMBL10100635

SCHEMBL10100635

Nc1ncc(-c2ccsc2)cc1-c1nnnn1-c1ccc(OC2CN3CCC2CC3)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
TLR7 Q9NYK1 4/20 0.34
CHEK2 O96017 6/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 4/20 0.32
CYP2A6 P11509 1/20 0.32
CHRNA7 P36544 1/20 0.31
NTMT1 Q9BV86 1/20 0.30

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
SCHEMBL10100794 0.89 EPHX2 (0.38) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100792 0.85 EPHX2 (0.40) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100633 0.84 CHEK2 (0.38) TLR7CHEK2CHEK1ATRCHRNA7
SCHEMBL10100634 0.82 EPHX2 (0.42) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100637 0.81 ALOX5AP (0.40) EPHX2CHEK2CHEK1ATR
SCHEMBL10100590 0.78 EPHX2 (0.43) EPHX2TLR7CHEK2CHEK1CYP2A6
SCHEMBL10100600 0.77 EPHX2 (0.43) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100569 0.77 KDR (0.41) EPHX2CHEK2
SCHEMBL10100492 0.77 EPHX2 (0.42) EPHX2CHEK2CHEK1CYP2A6
SCHEMBL10100535 0.77 EPHX2 (0.42) EPHX2TLR7CHEK2CHEK1CYP2A6

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 2778/4885TLR7 4492/4885CHEK2 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.