SCHEMBL10100510

SCHEMBL10100510

CNCCCOc1ccc(-n2nnnc2-c2cc(-c3cccc(Cl)c3)cnc2N)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.40
MAP4K4 O95819 1/20 0.34
KCNN4 O15554 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 6/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL10100496 0.91 ACHE (0.38) FYNMAP4K4KCNN4
SCHEMBL10100483 0.90 FYN (0.43) FYNKCNN4GRIN2B
SCHEMBL10100502 0.89 FYN (0.45) FYNKCNN4GRIN2B
SCHEMBL10100477 0.89 KCNN4 (0.32) FYNKCNN4
SCHEMBL10100551 0.89 FYN (0.43) FYNMAP4K4KCNN4L3MBTL1MEN1
SCHEMBL10100495 0.87 FYN (0.35) FYNMAP4K4KCNN4CYP1A2CYP2C9
SCHEMBL10100480 0.86 FYN (0.46) FYNMAP4K4
SCHEMBL10100493 0.85 FYN (0.41) FYNMAP4K4KCNN4CYP2C9CYP2C19
SCHEMBL10100492 0.85 EPHX2 (0.42) FYNKCNN4MAPK1
SCHEMBL10100468 0.85 LRRK2 (0.41) MAP4K4MAPK1

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 FYN 532/4885MAP4K4 201/4885KCNN4 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.