SCHEMBL986141

SCHEMBL986141

CC(C)(C)NC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.44
FYN P06241 3/20 0.42
USP7 Q93009 1/20 0.42
CHEK2 O96017 2/20 0.41
FGFR1 P11362 3/20 0.38
SRC P12931 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KCNN4 O15554 3/20 0.36
KDR P35968 3/20 0.35
RGS12 O14924 1/20 0.35
PABPC1 P11940 1/20 0.35
RIPK1 Q13546 1/20 0.35
IGF1R P08069 1/20 0.35
MAP4K4 O95819 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL985955 0.93 JAK2 (0.40) BRAFFYNUSP7CHEK2FGFR1
SCHEMBL986668 0.89 FYN (0.55) FYNUSP7CHEK2FGFR1KCNN4
SCHEMBL984853 0.87 BRAF (0.47) BRAFFYNUSP7CHEK2KDR
SCHEMBL986437 0.87 FYN (0.44) FYNUSP7CHEK2KCNN4MAP4K4
SCHEMBL27900677 0.87 FYN (0.43) BRAFFYNUSP7CHEK2KCNN4
SCHEMBL27900712 0.86 CDK8 (0.48) FYNUSP7CHEK2KDR
Methane SCHEMBL987128 0.86 FYN (0.40) BRAFFYNUSP7CHEK2KCNN4
SCHEMBL27900673 0.86 FYN (0.44) BRAFFYNUSP7CHEK2KCNN4
SCHEMBL987126 0.85 CHEK2 (0.41) BRAFFYNUSP7CHEK2KCNN4
SCHEMBL985934 0.85 ALDH1A1 (0.43) BRAFFYNUSP7CHEK2KDR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 BRAF 10/4885FYN 392/4885USP7 2086/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 BRAF 10/4885FYN 392/4885USP7 2086/4885

“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.