SCHEMBL982764

SCHEMBL982764

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)ccc(Cl)c3F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.36
MAP4K4 O95819 4/20 0.35
FYN P06241 2/20 0.35
AURKA O14965 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ACHE P22303 1/20 0.33
MET P08581 2/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL986887 0.93 AURKA (0.36) TLR7MAP4K4FYNAURKACDK2
SCHEMBL986844 0.91 TLR7 (0.37) TLR7MAP4K4FYNAURKACDK2
SCHEMBL986090 0.89 AURKA (0.36) TLR7MAP4K4FYNAURKACDK2
SCHEMBL983107 0.88 NEK2 (0.39) TLR7FYNAURKACDK2TTK
SCHEMBL986569 0.86 TAAR1 (0.39) TLR7MAP4K4FYNAURKACDK2
SCHEMBL986783 0.86 KCNN4 (0.38) TLR7MAP4K4AURKACDK2TTK
SCHEMBL985215 0.85 MAP4K4 (0.38) TLR7MAP4K4FYNAURKACDK2
SCHEMBL986719 0.85 TLR7 (0.39) TLR7MAP4K4FYNAURKACDK2
SCHEMBL985852 0.85 LRRK2 (0.42) TLR7MAP4K4HTTLRRK2MET
SCHEMBL4399399 0.83 FYN (0.37) TLR7MAP4K4FYNAURKACDK2

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
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US 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 TLR7 4597/4885MAP4K4 150/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TLR7 4597/4885MAP4K4 150/4885FYN 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.