SCHEMBL987834

SCHEMBL987834

Nc1ncc(C2=CC3CCC(C2)N3C(=O)O)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 14/20 0.34
CDK9 P50750 4/20 0.33
CCNT1 O60563 2/20 0.31

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
SCHEMBL987831 1.00 KCNN4 (0.34) KCNN4CDK9CCNT1
SCHEMBL985522 0.90 UCHL1 (0.35) KCNN4CDK9CCNT1
SCHEMBL985520 0.90 UCHL1 (0.35) KCNN4CDK9CCNT1
SCHEMBL985675 0.78 CCNT1 (0.37) KCNN4CDK9CCNT1
SCHEMBL11946781 0.78 CDK9 (0.42) KCNN4CDK9CCNT1
SCHEMBL13593450 0.77 KCNN4 (0.37) KCNN4
SCHEMBL2077755 0.77 KCNN4 (0.32) KCNN4
SCHEMBL985998 0.77 KCNN4 (0.37) KCNN4CDK9CCNT1
SCHEMBL986230 0.76 KCNN4 (0.49) KCNN4
SCHEMBL987001 0.76 ALDH1A1 (0.38) KCNN4CDK9CCNT1

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 5 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 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
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

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 KCNN4 4013/4885CDK9 288/4885CCNT1 1060/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KCNN4 4013/4885CDK9 288/4885CCNT1 1060/4885

“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.