SCHEMBL986261

SCHEMBL986261

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)cc(F)c3Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.38
PIK3CA P42336 1/20 0.36
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
KCNN4 O15554 4/20 0.34
MAP4K4 O95819 1/20 0.33
FYN P06241 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ACHE P22303 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
SCHEMBL986721 0.89 KCNN4 (0.39) TLR7AURKACDK2TTKNEK2
SCHEMBL986719 0.89 TLR7 (0.39) TLR7PIK3CAAURKACDK2TTK
SCHEMBL4399399 0.89 FYN (0.37) TLR7AURKACDK2TTKNEK2
SCHEMBL985215 0.87 MAP4K4 (0.38) TLR7AURKACDK2TTKNEK2
SCHEMBL986844 0.85 TLR7 (0.37) TLR7AURKACDK2TTKNEK2
SCHEMBL983096 0.85 ACHE (0.41) TLR7AURKACDK2TTKNEK2
SCHEMBL985484 0.85 LRRK2 (0.42) TLR7PIK3CAKCNN4MAP4K4LRRK2
SCHEMBL983107 0.84 NEK2 (0.39) TLR7AURKACDK2TTKNEK2
SCHEMBL985790 0.84 FYN (0.45) AURKACDK2TTKNEK2PLK1
SCHEMBL986783 0.84 KCNN4 (0.38) TLR7AURKACDK2TTKNEK2

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
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-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 TLR7 4597/4885PIK3CA 145/4885AURKA 287/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TLR7 4597/4885PIK3CA 145/4885AURKA 287/4885

“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.