SCHEMBL10100495

SCHEMBL10100495

CNCCCOc1ccc(-n2nnnc2-c2cc(-c3ccncc3)cnc2N)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.35
KCNN4 O15554 6/20 0.34
NTRK1 P04629 1/20 0.33
CHEK2 O96017 1/20 0.32
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MET P08581 1/20 0.30
ACHE P22303 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL10100496 0.92 ACHE (0.38) FYNKCNN4ALDH1A1MAP4K4CDK2
SCHEMBL10100477 0.90 KCNN4 (0.32) FYNKCNN4
SCHEMBL10100493 0.90 FYN (0.41) FYNKCNN4CHEK2ALDH1A1MAP4K4
SCHEMBL10100492 0.89 EPHX2 (0.42) FYNKCNN4CHEK2MAPK1
SCHEMBL10100468 0.88 LRRK2 (0.41) MAPK1MAP4K4MET
SCHEMBL10100514 0.87 GRIN2B (0.32) KCNN4
SCHEMBL10100510 0.87 FYN (0.40) FYNKCNN4MAPK1MAP4K4CYP1A2
SCHEMBL10100483 0.86 FYN (0.43) FYNKCNN4CHEK2ALDH1A1
SCHEMBL10100502 0.86 FYN (0.45) FYNKCNN4
SCHEMBL2356890 0.85 LRRK2 (0.40) MAPK1MAP4K4MET

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 532/4885KCNN4 4066/4885NTRK1 648/4885

“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.