SCHEMBL985340

SCHEMBL985340

Cc1nnc(-c2nc(Br)cnc2N)n1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.36
RXRA P19793 2/20 0.35
OXTR P30559 2/20 0.35
AVPR1A P37288 1/20 0.35
PIK3CD O00329 2/20 0.33
PTPN11 Q06124 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL982423 0.91 RXRA (0.39) RXRAOXTRAVPR1AGRIN1GRIN2B
SCHEMBL985870 0.87 HCAR1 (0.36) HCAR1RXRAPIK3CDPTPN11GRIN1
SCHEMBL986352 0.82 P2RX7 (0.37) OXTRAVPR1APTPN11
SCHEMBL987867 0.81 HCAR1 (0.33) HCAR1RXRAOXTRAVPR1AGRIN1
SCHEMBL985906 0.78 HCAR1 (0.36) HCAR1RXRAPTPN11GRIN1GRIN2B
SCHEMBL984711 0.78 RXRA (0.36) HCAR1RXRAPTPN11GRIN1GRIN2B
SCHEMBL982367 0.71 HCAR1 (0.37) HCAR1RXRAGRIN1GRIN2B
SCHEMBL982287 0.71 GABRA1 (0.38) RXRAGRIN1GRIN2B
SCHEMBL4408447 0.70 MAPK1 (0.37) PIK3CD
SCHEMBL982720 0.69 PTPN11 (0.35) PTPN11

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 HCAR1 4131/4885RXRA 4726/4885OXTR 4513/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HCAR1 4131/4885RXRA 4726/4885OXTR 4513/4885

“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.