SCHEMBL988541

SCHEMBL988541

CC(C)(O)Cn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
FFAR1 O14842 1/20 0.41
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
MTOR P42345 2/20 0.39
LRRK2 Q5S007 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MAPK1 P28482 4/20 0.37
MET P08581 2/20 0.37
KCNN4 O15554 3/20 0.37
PDK2 Q15119 2/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
TTK P33981 1/20 0.35

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
SCHEMBL988133 0.85 MAPK1 (0.40) LRRK2MAPK1METKCNN4
SCHEMBL984960 0.85 MET (0.41) LRRK2MAPK1METKCNN4PDK2
SCHEMBL986036 0.85 MAPK1 (0.48) FEN1PIK3CDPIK3CGMAPK1MET
SCHEMBL982900 0.85 KCNN4 (0.39) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL4565882 0.85 KCNN4 (0.39) LRRK2MAPK1METKCNN4
SCHEMBL982775 0.84 IKBKE (0.42) PIK3CDPIK3CBPIK3CGLRRK2MAPK1
SCHEMBL985946 0.84 MAPK1 (0.40) LRRK2MAPK1METKCNN4PDK2
SCHEMBL985718 0.84 LRRK2 (0.48) LRRK2FGFR1FGFR2FGFR3MAPK1
SCHEMBL984755 0.84 MAPK1 (0.40) LRRK2MAPK1METKCNN4
SCHEMBL985539 0.83 KCNN4 (0.41) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
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 ALOX5AP 4643/4885FEN1 1757/4885FFAR1 3427/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALOX5AP 4643/4885FEN1 1757/4885FFAR1 3427/4885

“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.