SCHEMBL986323

SCHEMBL986323

Nc1nccnc1-c1nncn1-c1cccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
P2RX7 Q99572 5/20 0.35
IDO1 P14902 1/20 0.35
KAT2B Q92831 1/20 0.35
RXRA P19793 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL984874 0.88 HCAR1 (0.39) HCAR1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL985248 0.87 P2RX7 (0.46) HCAR1P2RX7ALDH1A1
SCHEMBL986522 0.84 P2RX7 (0.39) HCAR1P2RX7IDO1KAT2BRXRA
SCHEMBL982367 0.83 HCAR1 (0.37) HCAR1P2RX7IDO1KAT2BRXRA
SCHEMBL984870 0.78 NOTUM (0.36) HCAR1P2RX7IDO1KAT2BRXRA
SCHEMBL985336 0.75 HCAR1 (0.37) HCAR1P2RX7IDO1KAT2BRXRA
SCHEMBL986259 0.73 ALDH1A1 (0.41) HCAR1P2RX7RXRAGRIN1GRIN2B
SCHEMBL982271 0.72 P2RX7 (0.49) HCAR1P2RX7ALDH1A1NOTUM
SCHEMBL985906 0.72 HCAR1 (0.36) HCAR1RXRAGRIN1GRIN2BALDH1A1
SCHEMBL986356 0.71 P2RX7 (0.41) HCAR1P2RX7PIK3C3

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 HCAR1 4131/4885P2RX7 3624/4885IDO1 4573/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HCAR1 4131/4885P2RX7 3624/4885IDO1 4573/4885

“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.