SCHEMBL10100545

SCHEMBL10100545

CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3cccc(N(C)C)c3)cnc2N)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.55
CHEK2 O96017 1/20 0.38
KCNN4 O15554 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 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
SCHEMBL10100579 0.91 FYN (0.45) FYNKCNN4
SCHEMBL10100542 0.91 FYN (0.44) FYNCHEK2KCNN4TLR7
SCHEMBL10100502 0.91 FYN (0.45) FYNKCNN4
SCHEMBL10100551 0.91 FYN (0.43) FYNCHEK2KCNN4TLR7PRKD3
SCHEMBL10100533 0.90 FYN (0.43) FYNCHEK2TLR7
SCHEMBL10100765 0.86 FYN (0.45) FYNKCNN4
SCHEMBL10100529 0.86 FYN (0.46) FYNCHEK2PRKD3PRKD1PRKD2
SCHEMBL10100564 0.86 FYN (0.42) FYN
SCHEMBL10100526 0.86 FYN (0.39) FYNCHEK2KCNN4TLR7
SCHEMBL10100539 0.85 FYN (0.46) FYNCHEK2KCNN4TLR7

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 FYN 532/4885CHEK2 109/4885KCNN4 4066/4885

“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.