SCHEMBL985453

SCHEMBL985453

Cc1ccc(Cl)cc1-n1nnnc1-c1cc(-c2ccc(CN(C)C)cc2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.39
TAAR1 Q96RJ0 1/20 0.37
FYN P06241 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
ACHE P22303 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
TTK P33981 1/20 0.34
NEK2 P51955 1/20 0.34
PLK1 P53350 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL985215 0.92 MAP4K4 (0.38) MAP4K4TAAR1FYNLMNAHTT
SCHEMBL986490 0.85 MAP4K4 (0.41) MAP4K4TAAR1FYNLMNAHTT
SCHEMBL984819 0.85 LRRK2 (0.45) MAP4K4FYNLMNAHTTGPR55
SCHEMBL986283 0.85 TAAR1 (0.45) MAP4K4TAAR1FYNLMNAHTT
SCHEMBL982604 0.84 P2RX7 (0.48) MAP4K4TAAR1ACHEAURKACDK2
SCHEMBL986719 0.84 TLR7 (0.39) MAP4K4FYNLMNAHTTGPR55
SCHEMBL986510 0.84 ALDH1A1 (0.42) MAP4K4TAAR1FYNACHELRRK2
SCHEMBL4399399 0.84 FYN (0.37) MAP4K4FYNACHEAURKACDK2
SCHEMBL986569 0.83 TAAR1 (0.39) MAP4K4TAAR1FYNACHELRRK2
SCHEMBL986783 0.83 KCNN4 (0.38) MAP4K4TAAR1ACHEAURKACDK2

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
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
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
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 150/4885TAAR1 4051/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAP4K4 150/4885TAAR1 4051/4885FYN 392/4885

“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.