SCHEMBL986145

SCHEMBL986145

CC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.46
USP7 Q93009 2/20 0.46
CHEK2 O96017 1/20 0.45
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 5/20 0.40
MAP4K4 O95819 3/20 0.40
MOK Q9UQ07 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ACHE P22303 1/20 0.37
SMO Q99835 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL982620 0.94 FYN (0.47) FYNUSP7CHEK2CHRNA7MAP4K4
SCHEMBL985400 0.92 FYN (0.55) FYNUSP7CHEK2ALDH1A1TSHR
SCHEMBL986027 0.91 FYN (0.45) FYNUSP7CHEK2CHRNA7MAP4K4
SCHEMBL986804 0.90 USP7 (0.48) FYNUSP7CHEK2CHRNA7MAP4K4
SCHEMBL986338 0.89 FYN (0.46) FYNUSP7CHEK2CCNCCDK8
SCHEMBL986725 0.86 FYN (0.45) FYNUSP7CHEK2CHRNA7MAP4K4
SCHEMBL984454 0.86 FYN (0.46) FYNUSP7CHEK2CCNCCDK8
SCHEMBL987011 0.86 FYN (0.42) FYNUSP7CHEK2CHRNA7MAP4K4
SCHEMBL983825 0.85 MAP4K4 (0.44) FYNUSP7CHEK2ALDH1A1MAP4K4
SCHEMBL4551524 0.84 MAP4K4 (0.43) FYNUSP7CHEK2ALDH1A1TSHR

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 FYN 392/4885USP7 2086/4885CHEK2 134/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885USP7 2086/4885CHEK2 134/4885

“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.