SCHEMBL987867

SCHEMBL987867

Cc1nnc(-c2cc(Br)cnc2N)n1-c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.33
AKT1 P31749 4/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA3 P34903 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
SCHEMBL982287 0.90 GABRA1 (0.38) AKT1KMT2ARXRAGRIN1GRIN2B
SCHEMBL985208 0.87 HCAR1 (0.32) HCAR1AKT1HTTKMT2ARXRA
SCHEMBL985340 0.81 HCAR1 (0.36) HCAR1OXTRAVPR1ARXRAGRIN1
SCHEMBL984208 0.79 ALDH1A1 (0.35) HCAR1AKT1HTTKMT2AGABRA5
SCHEMBL984885 0.79 KCNN4 (0.48)
SCHEMBL985584 0.77 USP7 (0.36) HCAR1AKT1HTTKMT2ARXRA
SCHEMBL982314 0.77 RPS6KA5 (0.40) HCAR1AKT1
SCHEMBL13593343 0.74 HCAR1 (0.32) HCAR1AKT1RXRAGRIN1GRIN2B
SCHEMBL982423 0.72 RXRA (0.39) OXTRAVPR1ARXRAGRIN1GRIN2B
SCHEMBL985336 0.70 HCAR1 (0.37) HCAR1KMT2ARXRAGRIN1GRIN2B

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
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
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 4131/4885AKT1 72/4885HTT 1886/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HCAR1 4131/4885AKT1 72/4885HTT 1886/4885

“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.