SCHEMBL984870

SCHEMBL984870

Nc1nccnc1-c1nnc(O)n1-c1cccc(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
MDM2 Q00987 6/20 0.35
RXRA P19793 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
IDO1 P14902 2/20 0.32
KAT2B Q92831 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL985392 0.90 HCAR1 (0.36) RXRAGRIN1GRIN2BHCAR1
SCHEMBL985800 0.89 NOTUM (0.35) NOTUMP2RX7
SCHEMBL987134 0.84 NOTUM (0.38) NOTUMMDM2RXRAGRIN1GRIN2B
SCHEMBL984711 0.83 RXRA (0.36) NOTUMMDM2RXRAGRIN1GRIN2B
SCHEMBL986323 0.78 HCAR1 (0.40) NOTUMMDM2RXRAGRIN1GRIN2B
SCHEMBL985584 0.75 USP7 (0.36) NOTUMMDM2RXRAGRIN1GRIN2B
SCHEMBL983903 0.75 AKT1 (0.42) RXRAGRIN1GRIN2BHCAR1
SCHEMBL985870 0.73 HCAR1 (0.36) RXRAGRIN1GRIN2BHCAR1
SCHEMBL987801 0.72 AKT1 (0.39) NOTUMP2RX7
SCHEMBL4408447 0.71 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
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 NOTUM 3643/4885MDM2 451/4885RXRA 4726/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOTUM 3643/4885MDM2 451/4885RXRA 4726/4885

“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.