SCHEMBL983903

SCHEMBL983903

Nc1ncccc1-c1nnc(O)n1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.42
AKT2 P31751 2/20 0.35
MAP4K4 O95819 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL987134 0.89 NOTUM (0.38) AKT1AKT2MAP4K4RXRAGRIN1
SCHEMBL985392 0.85 HCAR1 (0.36) AKT1HCAR1RXRAGRIN1GRIN2B
SCHEMBL13593343 0.81 HCAR1 (0.32) AKT1HCAR1RXRAGRIN1GRIN2B
SCHEMBL985208 0.81 HCAR1 (0.32) AKT1HCAR1RXRAGRIN1GRIN2B
SCHEMBL987801 0.80 AKT1 (0.39) AKT1AKT2
SCHEMBL986259 0.76 ALDH1A1 (0.41) AKT1AKT2MAP4K4HCAR1RXRA
SCHEMBL985261 0.76 KCNN4 (0.55)
SCHEMBL985870 0.76 HCAR1 (0.36) HCAR1RXRAGRIN1GRIN2B
SCHEMBL930881 0.75 HSP90AA1 (0.50) RXRAGRIN1GRIN2BKDM4E
SCHEMBL984608 0.75 NOTUM (0.39) AKT1AKT2RXRAGRIN1GRIN2B

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 AKT1 72/4885AKT2 157/4885MAP4K4 150/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 AKT1 72/4885AKT2 157/4885MAP4K4 150/4885

“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.