SCHEMBL982367

SCHEMBL982367

Nc1ncc(Br)nc1-c1nncn1-c1cccc(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.37
RXRA P19793 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
PIK3C3 Q8NEB9 1/20 0.33
IDO1 P14902 1/20 0.32
KAT2B Q92831 1/20 0.32
MDM2 Q00987 2/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL985906 0.90 HCAR1 (0.36) HCAR1RXRAGRIN1GRIN2B
SCHEMBL986356 0.88 P2RX7 (0.41) HCAR1PIK3C3P2RX7
SCHEMBL986323 0.83 HCAR1 (0.40) HCAR1RXRAGRIN1GRIN2BPIK3C3
SCHEMBL985336 0.81 HCAR1 (0.37) HCAR1RXRAGRIN1GRIN2BPIK3C3
SCHEMBL982423 0.81 RXRA (0.39) RXRAGRIN1GRIN2BMDM2
SCHEMBL984711 0.80 RXRA (0.36) HCAR1RXRAGRIN1GRIN2BMDM2
SCHEMBL986522 0.75 P2RX7 (0.39) HCAR1RXRAGRIN1GRIN2BIDO1
SCHEMBL4414226 0.73 ATR (0.36) HCAR1
SCHEMBL4411403 0.73 MAPK1 (0.36) HCAR1
SCHEMBL984874 0.72 HCAR1 (0.39) HCAR1RXRAGRIN1GRIN2B

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 9 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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO 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 4726/4885GRIN1 2620/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HCAR1 4131/4885RXRA 4726/4885GRIN1 2620/4885

“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.