SCHEMBL987134

SCHEMBL987134

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
AKT1 P31749 14/20 0.37
AKT2 P31751 4/20 0.36
AKT3 Q9Y243 2/20 0.36
MAP4K4 O95819 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL983903 0.89 AKT1 (0.42) AKT1AKT2MAP4K4RXRAGRIN1
SCHEMBL987801 0.89 AKT1 (0.39) NOTUMAKT1AKT2AKT3
SCHEMBL984608 0.86 NOTUM (0.39) NOTUMPDE4BPDE4DAKT1AKT2
SCHEMBL984870 0.84 NOTUM (0.36) NOTUMPDE4BPDE4DRXRAGRIN1
SCHEMBL985584 0.81 USP7 (0.36) NOTUMAKT1RXRAGRIN1GRIN2B
SCHEMBL987916 0.78 KCNN4 (0.52) ALDH1A1
SCHEMBL986522 0.78 P2RX7 (0.39) NOTUMPDE4BPDE4DAKT1AKT2
SCHEMBL984711 0.75 RXRA (0.36) NOTUMPDE4BPDE4DRXRAGRIN1
SCHEMBL987102 0.75 P2RX7 (0.43) NOTUMAKT1AKT2AKT3
SCHEMBL985392 0.73 HCAR1 (0.36) AKT1RXRAGRIN1GRIN2B

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 3643/4885PDE4B 1497/4885PDE4D 1762/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOTUM 3643/4885PDE4B 1497/4885PDE4D 1762/4885

“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.