SCHEMBL5569161

SCHEMBL5569161

Nc1ncc(-c2ccc(N3CCCC3)nc2)cc1-c1nn(Cc2ccccc2)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.53
CNR1 P21554 3/20 0.53
KLKB1 P03952 1/20 0.41
PTPN11 Q06124 3/20 0.39
RET P07949 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
SCHEMBL5567386 0.88 CNR2 (0.55) CNR2CNR1PTPN11RET
SCHEMBL5570460 0.87 CNR2 (0.52) CNR2CNR1PTPN11
SCHEMBL14397721 0.87 CNR2 (0.39) CNR2CNR1KLKB1PTPN11RET
SCHEMBL5566568 0.86 CNR2 (0.58) CNR2CNR1PTPN11RET
SCHEMBL5570264 0.84 CNR2 (0.42) CNR2CNR1PTPN11RET
SCHEMBL5565678 0.83 L3MBTL1 (0.46) KLKB1
SCHEMBL5570605 0.82 TNIK (0.45) PTPN11RET
SCHEMBL5569157 0.81 MAP4K4 (0.40) PTPN11
SCHEMBL5568967 0.78 CNR2 (0.57) CNR2CNR1PTPN11
SCHEMBL5571096 0.77 CNR2 (0.56) CNR2CNR1PTPN11

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
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 CNR2 3266/4885CNR1 3027/4885KLKB1 2237/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CNR2 3266/4885CNR1 3027/4885KLKB1 2237/4885

“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.