SCHEMBL982529

SCHEMBL982529

NC(=O)[C@@H]1CCCN1Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
PDCD1 Q15116 3/20 0.42
CD274 Q9NZQ7 3/20 0.42
BMPR1B O00238 3/20 0.39
BMPR1A P36894 3/20 0.39
TGFBR1 P36897 3/20 0.39
ACVRL1 P37023 3/20 0.39
ACVR1 Q04771 3/20 0.39
GRM2 Q14416 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
MET P08581 2/20 0.37
MAP4K4 O95819 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
SCHEMBL982530 1.00 SPHK1 (0.44) SPHK1MAOAMAOBPDCD1CD274
SCHEMBL983325 0.89 MAOB (0.46) SPHK1MAOAMAOBPDCD1CD274
SCHEMBL983324 0.89 MAOB (0.46) SPHK1MAOAMAOBPDCD1CD274
SCHEMBL985994 0.88 SPHK1 (0.44) SPHK1PDCD1CD274
SCHEMBL985996 0.88 SPHK1 (0.44) SPHK1PDCD1CD274
SCHEMBL27900698 0.85 ACVR1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL27900697 0.85 ACVR1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL983306 0.85 MET (0.44) MET
SCHEMBL983307 0.85 MET (0.44) MET
SCHEMBL983309 0.83 LRRK2 (0.43) PDCD1CD274BMPR1BBMPR1ATGFBR1

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 14 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-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 SPHK1 940/4885MAOA 4116/4885MAOB 3811/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 SPHK1 940/4885MAOA 4116/4885MAOB 3811/4885

“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.