SCHEMBL983107

SCHEMBL983107

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)cccc3F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.39
PLK1 P53350 2/20 0.39
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
ACHE P22303 1/20 0.38
FYN P06241 5/20 0.36
KCNN4 O15554 2/20 0.35
LRRK2 Q5S007 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
ATR Q13535 1/20 0.35
VRK2 Q86Y07 1/20 0.34
TNKS O95271 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
VRK1 Q99986 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
SCHEMBL986090 0.94 AURKA (0.36) NEK2PLK1AURKACDK2TTK
SCHEMBL986887 0.91 AURKA (0.36) NEK2PLK1AURKACDK2TTK
SCHEMBL986844 0.90 TLR7 (0.37) NEK2PLK1AURKACDK2TTK
SCHEMBL985525 0.90 KCNN4 (0.40) NEK2PLK1AURKACDK2TTK
SCHEMBL986681 0.90 KCNN4 (0.40) NEK2PLK1AURKACDK2TTK
SCHEMBL986569 0.88 TAAR1 (0.39) NEK2PLK1AURKACDK2TTK
SCHEMBL982764 0.88 TLR7 (0.36) NEK2PLK1AURKACDK2TTK
SCHEMBL986721 0.88 KCNN4 (0.39) NEK2PLK1AURKACDK2TTK
SCHEMBL983096 0.87 ACHE (0.41) NEK2PLK1AURKACDK2TTK
SCHEMBL985398 0.86 FYN (0.40) NEK2PLK1AURKACDK2TTK

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-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
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 NEK2 484/4885PLK1 199/4885AURKA 287/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NEK2 484/4885PLK1 199/4885AURKA 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.