SCHEMBL984711

SCHEMBL984711

Nc1ncc(Br)nc1-c1nnc(O)n1-c1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
MDM2 Q00987 5/20 0.35
NOTUM Q6P988 1/20 0.34
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
PTPN11 Q06124 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL985870 0.91 HCAR1 (0.36) RXRAGRIN1GRIN2BPTPN11HCAR1
SCHEMBL982720 0.90 PTPN11 (0.35) NOTUMPTPN11
SCHEMBL982423 0.87 RXRA (0.39) RXRAGRIN1GRIN2BMDM2NOTUM
SCHEMBL984870 0.83 NOTUM (0.36) RXRAGRIN1GRIN2BMDM2NOTUM
SCHEMBL985584 0.81 USP7 (0.36) RXRAGRIN1GRIN2BMDM2NOTUM
SCHEMBL982367 0.80 HCAR1 (0.37) RXRAGRIN1GRIN2BMDM2HCAR1
SCHEMBL985340 0.78 HCAR1 (0.36) RXRAGRIN1GRIN2BPTPN11HCAR1
SCHEMBL986352 0.77 P2RX7 (0.37) NOTUMPTPN11
SCHEMBL987134 0.75 NOTUM (0.38) RXRAGRIN1GRIN2BMDM2NOTUM
SCHEMBL4408447 0.74 MAPK1 (0.37)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN disclosed
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
CN-101479255-A c-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA (US) 2009-07-08 CN 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 RXRA 4726/4885GRIN1 2620/4885GRIN2B 3380/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 RXRA 4726/4885GRIN1 2620/4885GRIN2B 3380/4885

“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.