SCHEMBL986047

SCHEMBL986047

COc1c(F)cccc1-n1nnnc1-c1cc(-c2cccc(NC(C)=O)c2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.52
USP7 Q93009 2/20 0.52
CHEK2 O96017 1/20 0.50
BRAF P15056 1/20 0.44
TGFBR1 P36897 2/20 0.43
ACVR1 Q04771 2/20 0.43
BTK Q06187 2/20 0.42
ITK Q08881 2/20 0.42
KIT P10721 1/20 0.40
KCNN4 O15554 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
ATR Q13535 1/20 0.39
CHEK1 O14757 1/20 0.39
FGFR1 P11362 1/20 0.39
NEK2 P51955 1/20 0.39
MAPK15 Q8TD08 1/20 0.39
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIP4K2A P48426 1/20 0.38

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
SCHEMBL988449 0.93 FYN (0.44) FYNUSP7CHEK2TGFBR1KCNN4
SCHEMBL987252 0.90 FYN (0.55) FYNUSP7CHEK2KITKCNN4
SCHEMBL986668 0.90 FYN (0.55) FYNUSP7CHEK2KCNN4PIK3C3
SCHEMBL28805610 0.89 FYN (0.52) FYNUSP7CHEK2BRAFTGFBR1
SCHEMBL985498 0.87 FYN (0.57) FYNUSP7CHEK2BRAFKIT
SCHEMBL988570 0.87 FYN (0.52) FYNUSP7CHEK2BRAFTGFBR1
SCHEMBL986730 0.86 FYN (0.55) FYNUSP7CHEK2BRAFKCNN4
SCHEMBL11953327 0.85 FYN (0.53) FYNUSP7CHEK2PIK3C3ATR
SCHEMBL986523 0.85 FYN (0.53) FYNUSP7CHEK2PIK3C3ATR
SCHEMBL986788 0.85 FYN (0.53) FYNUSP7CHEK2PIK3C3ATR

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 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.