SCHEMBL985336

SCHEMBL985336

Nc1ncc(Br)cc1-c1nncn1-c1cccc(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.37
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RXRA P19793 5/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2B Q13224 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PIK3CA P42336 1/20 0.32
MET P08581 1/20 0.32
USP7 Q93009 1/20 0.32
IDO1 P14902 1/20 0.32
KAT2B Q92831 1/20 0.32
NOTUM Q6P988 1/20 0.31
MAPK1 P28482 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
SCHEMBL985033 0.89 P2RX7 (0.40) HCAR1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL984208 0.89 ALDH1A1 (0.35) HCAR1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL986522 0.81 P2RX7 (0.39) HCAR1ALDH1A1RXRAGRIN1GRIN2B
SCHEMBL982287 0.81 GABRA1 (0.38) GABRA5RXRAGRIN1GRIN2BMEN1
SCHEMBL982367 0.81 HCAR1 (0.37) HCAR1RXRAGRIN1GRIN2BP2RX7
SCHEMBL4409574 0.81 LRRK2 (0.43) HCAR1RXRAGRIN1GRIN2BMET
SCHEMBL985584 0.80 USP7 (0.36) HCAR1RXRAGRIN1GRIN2BMEN1
SCHEMBL986016 0.80 KCNN4 (0.46) ALDH1A1RXRAGRIN1GRIN2B
SCHEMBL4406036 0.76 FYN (0.45) GRIN1GRIN2BPIK3CAMAPK1
SCHEMBL986323 0.75 HCAR1 (0.40) HCAR1ALDH1A1RXRAGRIN1GRIN2B

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 4131/4885GABRG2 2698/4885GABRB3 2854/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HCAR1 4131/4885GABRG2 2698/4885GABRB3 2854/4885

“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.