SCHEMBL4405964

SCHEMBL4405964

Nc1ncccc1-c1cnc(N)c(-c2nncn2-c2cccc(F)c2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP17A1 P05093 1/20 0.34
AKT1 P31749 4/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
HCAR1 Q9BXC0 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
GABRA1 P14867 2/20 0.32
VRK1 Q99986 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL986259 0.89 ALDH1A1 (0.41) MAP4K4ALDH1A1AKT1HCAR1GRIN1
SCHEMBL4406059 0.88 FYN (0.45) ALDH1A1AKT1CYP11B1CYP11B2KDM4E
SCHEMBL4405468 0.86 MAP4K4 (0.42) MAP4K4CYP17A1MAPK1VRK1
SCHEMBL4416785 0.85 MAP4K4 (0.43) MAP4K4ALDH1A1AKT1MAPK1ALOX5AP
SCHEMBL4405659 0.85 LRRK2 (0.46) MAP4K4MAPK1
SCHEMBL4405988 0.84 MAP4K4 (0.47) MAP4K4MAPK1
SCHEMBL4405837 0.83 MAPT (0.39) ALDH1A1AKT1MAPK1GRIN1GRIN2B
SCHEMBL4407728 0.83 FYN (0.38) CYP17A1CYP11B2TGFBR1ACVR1
SCHEMBL4406036 0.82 FYN (0.45) MAP4K4MAPK1GRIN1GRIN2B
SCHEMBL984208 0.82 ALDH1A1 (0.35) ALDH1A1CYP17A1AKT1MAPK1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAP4K4 150/4885ALDH1A1 3864/4885CYP17A1 4276/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K4 150/4885ALDH1A1 3864/4885CYP17A1 4276/4885

“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.