SCHEMBL10100586

SCHEMBL10100586

CN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.45
GRIN2B Q13224 1/20 0.36
KCNN4 O15554 5/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
TLR7 Q9NYK1 4/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
ACHE P22303 1/20 0.31
NEK2 P51955 1/20 0.31
DCK P27707 1/20 0.31

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
SCHEMBL10100549 0.97 FYN (0.44) FYNGRIN2BKCNN4NOS3NOS1
SCHEMBL10100773 0.95 FYN (0.45) FYNGRIN2BKCNN4NOS3NOS1
SCHEMBL10100506 0.89 FYN (0.44) FYNGRIN2BKCNN4TBK1CCNT1
SCHEMBL10100446 0.87 FYN (0.42) FYNKCNN4NOS3NOS1NOS2
SCHEMBL10100423 0.87 FYN (0.41) FYNNOS3NOS1NOS2TBK1
SCHEMBL10100566 0.85 FYN (0.40) FYNNEK2
SCHEMBL10100556 0.84 NEK2 (0.35) FYNGRIN2BKCNN4TLR7CDK2
SCHEMBL10100585 0.83 KCNN4 (0.44) FYNKCNN4
SCHEMBL10100542 0.83 FYN (0.44) FYNKCNN4TLR7ACHE
SCHEMBL10100718 0.83 FYN (0.42) FYNKCNN4NOS3NOS1NOS2

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 FYN 532/4885GRIN2B 3446/4885KCNN4 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.