SCHEMBL985584

SCHEMBL985584

Nc1ncc(Br)cc1-c1nnc(O)n1-c1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.36
NOTUM Q6P988 1/20 0.36
RXRA P19793 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
MDM2 Q00987 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MET P08581 2/20 0.32
AKT1 P31749 3/20 0.31
HTT P42858 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL985208 0.90 HCAR1 (0.32) RXRAGRIN1GRIN2BKMT2AMEN1
SCHEMBL985866 0.90 USP7 (0.37) USP7NOTUMKMT2AMEN1MET
SCHEMBL982287 0.88 GABRA1 (0.38) USP7NOTUMRXRAGRIN1GRIN2B
SCHEMBL987134 0.81 NOTUM (0.38) NOTUMRXRAGRIN1GRIN2BMDM2
SCHEMBL984711 0.81 RXRA (0.36) NOTUMRXRAGRIN1GRIN2BMDM2
SCHEMBL986016 0.80 KCNN4 (0.46) RXRAGRIN1GRIN2B
SCHEMBL985336 0.80 HCAR1 (0.37) USP7NOTUMRXRAGRIN1GRIN2B
SCHEMBL987867 0.77 HCAR1 (0.33) RXRAGRIN1GRIN2BKMT2AAKT1
SCHEMBL13593343 0.76 HCAR1 (0.32) RXRAGRIN1GRIN2BAKT1HCAR1
SCHEMBL984870 0.75 NOTUM (0.36) NOTUMRXRAGRIN1GRIN2BMDM2

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 USP7 2086/4885NOTUM 3643/4885RXRA 4726/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 USP7 2086/4885NOTUM 3643/4885RXRA 4726/4885

“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.