SCHEMBL987904

SCHEMBL987904

CC(C)(C)Nc1ncccc1-c1nnnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.53
KCNN4 O15554 3/20 0.44

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
SCHEMBL987754 0.89 KCNN4 (0.47) P2RX7KCNN4
SCHEMBL983904 0.82 KCNN4 (0.50) KCNN4
SCHEMBL986679 0.80 KCNN4 (0.48) P2RX7KCNN4
SCHEMBL982800 0.79 KCNN4 (0.46) KCNN4
SCHEMBL1425424 0.77 KCNN4 (0.44) KCNN4
SCHEMBL3294836 0.76 P2RX7 (0.65) P2RX7
SCHEMBL1425252 0.76 KCNN4 (0.42) KCNN4
SCHEMBL1425971 0.75 KCNN4 (0.38) KCNN4
SCHEMBL1425298 0.74 KCNN4 (0.46) KCNN4
SCHEMBL2358883 0.74 KCNN4 (0.46) KCNN4

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 P2RX7 3624/4885KCNN4 4013/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885KCNN4 4013/4885

“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.