SCHEMBL986719

SCHEMBL986719

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)ccc3Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.39
ACHE P22303 1/20 0.36
FYN P06241 3/20 0.36
AURKA O14965 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
PIK3CA P42336 1/20 0.35
MAP4K4 O95819 2/20 0.35
KCNN4 O15554 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GPR55 Q9Y2T6 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
SCHEMBL4399399 0.91 FYN (0.37) TLR7ACHEFYNAURKACDK2
SCHEMBL986261 0.89 TLR7 (0.38) TLR7ACHEFYNAURKACDK2
SCHEMBL986783 0.87 KCNN4 (0.38) TLR7ACHEAURKACDK2TTK
SCHEMBL985790 0.87 FYN (0.45) FYNAURKACDK2TTKNEK2
SCHEMBL985215 0.87 MAP4K4 (0.38) TLR7ACHEFYNAURKACDK2
SCHEMBL982764 0.85 TLR7 (0.36) TLR7ACHEFYNAURKACDK2
SCHEMBL986721 0.85 KCNN4 (0.39) TLR7ACHEAURKACDK2TTK
SCHEMBL982604 0.85 P2RX7 (0.48) ACHEAURKACDK2TTKNEK2
SCHEMBL986510 0.85 ALDH1A1 (0.42) ACHEFYNAURKACDK2TTK
SCHEMBL983096 0.85 ACHE (0.41) TLR7ACHEFYNAURKACDK2

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 13 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-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 4597/4885ACHE 4769/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TLR7 4597/4885ACHE 4769/4885FYN 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.