SCHEMBL10100583

SCHEMBL10100583

Cc1cccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN(C)C)c(F)c3F)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 10/20 0.37
KDR P35968 1/20 0.36
FYN P06241 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 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
SCHEMBL10100770 0.95 KCNN4 (0.37) KCNN4KDRFYNALDH1A1NOS3
SCHEMBL10100585 0.88 KCNN4 (0.44) KCNN4FYNALDH1A1
SCHEMBL10100581 0.87 MCHR1 (0.40) KCNN4KDRGRIN1GRIN2BTLR7
SCHEMBL10100584 0.86 FYN (0.41) KCNN4FYNTLR7
SCHEMBL10100591 0.85 SMN1; SMN2 (0.40) KDR
SCHEMBL10100542 0.85 FYN (0.44) KCNN4KDRFYNTLR7
SCHEMBL2358641 0.84 KCNN4 (0.36) KCNN4FYNTLR7
SCHEMBL10100771 0.84 KCNN4 (0.43) KCNN4FYNALDH1A1
SCHEMBL10100587 0.84 FYN (0.42) KCNN4FYNALDH1A1
SCHEMBL2358505 0.83 LRRK2 (0.42) FYN

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 KCNN4 4066/4885KDR 213/4885FYN 532/4885

“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.