SCHEMBL985125

SCHEMBL985125

CC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)cc(F)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.56
USP7 Q93009 2/20 0.56
CHEK2 O96017 2/20 0.55
PIK3C3 Q8NEB9 1/20 0.44
CHEK1 O14757 1/20 0.43
FGFR1 P11362 1/20 0.43
NEK2 P51955 1/20 0.43
MAPK15 Q8TD08 1/20 0.43
MAP4K4 O95819 1/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
CYP11B2 P19099 1/20 0.41
ATR Q13535 3/20 0.41
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
NTRK1 P04629 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
CYP2C8 P10632 1/20 0.39

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
SCHEMBL988276 0.90 FYN (0.57) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL985498 0.90 FYN (0.57) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL982778 0.90 FYN (0.45) FYNUSP7CHEK2MAP4K4ACHE
SCHEMBL11953327 0.88 FYN (0.53) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL11953328 0.88 FYN (0.55) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL986730 0.88 FYN (0.55) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL986330 0.87 FYN (0.56) FYNUSP7CHEK2CHEK1FGFR1
SCHEMBL985200 0.86 FYN (0.52) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL985951 0.86 FYN (0.53) FYNUSP7CHEK2PIK3C3CHEK1
SCHEMBL986485 0.86 FYN (0.55) FYNUSP7CHEK2PIK3C3CHEK1

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 13 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
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

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.