SCHEMBL986090

SCHEMBL986090

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)cccc3Cl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TLR7 Q9NYK1 4/20 0.36
KCNN4 O15554 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ACHE P22303 1/20 0.35
CHRNA7 P36544 2/20 0.35
MAP4K4 O95819 3/20 0.34
PIK3CA P42336 1/20 0.34
P2RX7 Q99572 1/20 0.34
FYN P06241 2/20 0.33
LRRK2 Q5S007 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
SCHEMBL986569 0.94 TAAR1 (0.39) AURKACDK2TTKNEK2PLK1
SCHEMBL983107 0.94 NEK2 (0.39) AURKACDK2TTKNEK2PLK1
SCHEMBL982764 0.89 TLR7 (0.36) AURKACDK2TTKNEK2PLK1
SCHEMBL986844 0.89 TLR7 (0.37) AURKACDK2TTKNEK2PLK1
SCHEMBL986783 0.88 KCNN4 (0.38) AURKACDK2TTKNEK2PLK1
SCHEMBL986721 0.88 KCNN4 (0.39) AURKACDK2TTKNEK2PLK1
SCHEMBL986887 0.87 AURKA (0.36) AURKACDK2TTKNEK2PLK1
SCHEMBL986510 0.85 ALDH1A1 (0.42) AURKACDK2TTKNEK2PLK1
SCHEMBL982604 0.85 P2RX7 (0.48) AURKACDK2TTKNEK2PLK1
SCHEMBL985525 0.85 KCNN4 (0.40) AURKACDK2TTKNEK2PLK1

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 AURKA 287/4885CDK2 149/4885TTK 167/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 AURKA 287/4885CDK2 149/4885TTK 167/4885

“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.