SCHEMBL10100737

SCHEMBL10100737

CC(=O)Nc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 19/20 0.44
CHEK2 O96017 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
SCHEMBL10100529 0.89 FYN (0.46) PIK3C3CHEK2
SCHEMBL10100526 0.86 FYN (0.39) CHEK2
SCHEMBL10100738 0.85 FYN (0.44) CHEK2
SCHEMBL10100542 0.83 FYN (0.44) CHEK2
SCHEMBL10100535 0.82 EPHX2 (0.42) CHEK2
SCHEMBL10100545 0.81 FYN (0.55) CHEK2
SCHEMBL10100551 0.81 FYN (0.43) CHEK2
SCHEMBL10100539 0.81 FYN (0.46) CHEK2
SCHEMBL10100533 0.81 FYN (0.43) CHEK2
SCHEMBL10100515 0.81 LRRK2 (0.41) CHEK2

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
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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 (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 PIK3C3 212/4885CHEK2 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.