SCHEMBL986187

SCHEMBL986187

CC(C)CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
KCNN4 O15554 15/20 0.36
LRRK2 Q5S007 2/20 0.33
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 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
SCHEMBL986254 0.91 KCNN4 (0.38) KCNN4LRRK2ACHE
SCHEMBL985525 0.90 KCNN4 (0.40) KCNN4AURKACDK2TTKNEK2
SCHEMBL986746 0.86 KCNN4 (0.39) KCNN4LRRK2ACHE
SCHEMBL986787 0.86 KCNN4 (0.37) KCNN4ACHE
SCHEMBL985028 0.85 KCNN4 (0.43) KCNN4ACHE
SCHEMBL984943 0.85 KCNN4 (0.38) KCNN4LRRK2ACHE
SCHEMBL986030 0.84 KCNN4 (0.39) KCNN4ACHE
SCHEMBL27900679 0.84 KCNN4 (0.39) KCNN4ACHE
SCHEMBL985015 0.83 FYN (0.45) KCNN4
SCHEMBL986152 0.83 KCNN4 (0.43) KCNN4ACHE

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 12 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
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 AKT1 72/4885KCNN4 4013/4885LRRK2 347/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 AKT1 72/4885KCNN4 4013/4885LRRK2 347/4885

“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.