SCHEMBL10100549

SCHEMBL10100549

CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.44
GRIN2B Q13224 1/20 0.35
CHEK2 O96017 1/20 0.34
KCNN4 O15554 4/20 0.34
TLR7 Q9NYK1 3/20 0.33
TBK1 Q9UHD2 1/20 0.33
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
ETV6 P41212 1/20 0.32
ATR Q13535 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
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 0.30

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
SCHEMBL10100586 0.97 FYN (0.45) FYNGRIN2BKCNN4TLR7TBK1
SCHEMBL10100773 0.92 FYN (0.45) FYNGRIN2BKCNN4TLR7TBK1
SCHEMBL10100506 0.90 FYN (0.44) FYNGRIN2BKCNN4TBK1MAPKAPK2
SCHEMBL10100542 0.87 FYN (0.44) FYNCHEK2KCNN4TLR7RET
SCHEMBL10100446 0.86 FYN (0.42) FYNKCNN4TLR7TBK1NOS3
SCHEMBL10100423 0.85 FYN (0.41) FYNTLR7TBK1NOS3NOS1
SCHEMBL10100554 0.85 FYN (0.38) FYNGRIN2BCHEK2KCNN4TLR7
SCHEMBL10100566 0.84 FYN (0.40) FYN
SCHEMBL10100649 0.84 NEK2 (0.37) FYNGRIN2BCHEK2KCNN4
SCHEMBL10100535 0.82 EPHX2 (0.42) FYNCHEK2KCNN4TLR7KDR

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 532/4885GRIN2B 3446/4885CHEK2 109/4885

“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.