SCHEMBL10100631

SCHEMBL10100631

CN1C2CCC1CC(Oc1ccc(-n3nnnc3-c3cc(-c4ccccc4)cnc3N)c(F)c1F)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FYN P06241 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNN4 O15554 9/20 0.34
PDPK1 O15530 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LRRK2 Q5S007 1/20 0.32
JAK2 O60674 1/20 0.32
USP7 Q93009 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
SCHEMBL10100639 0.90 LRRK2 (0.40) LRRK2
SCHEMBL10100634 0.89 EPHX2 (0.42) FYN
SCHEMBL10100793 0.88 KCNN4 (0.38) ACHEFYNKCNN4PDPK1CDK1
SCHEMBL10100632 0.84 ALOX5AP (0.46)
SCHEMBL10100796 0.81 MKNK1 (0.42) FYNKCNN4MKNK1MKNK2JAK2
SCHEMBL10100795 0.81 MAP4K3 (0.35) FYNKCNN4MKNK1MKNK2
SCHEMBL10100705 0.80 LRRK2 (0.41) LRRK2
SCHEMBL10100643 0.80 MKNK1 (0.43) FYNMKNK1MKNK2LRRK2
SCHEMBL10100642 0.79 MAP4K3 (0.36) MKNK1MKNK2LRRK2
SCHEMBL10100381 0.79 MAP4K3 (0.42) LRRK2JAK2

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 ACHE 4883/4885SLC6A2 4837/4885SLC6A3 4553/4885

“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.