SCHEMBL985800

SCHEMBL985800

Nc1nccnc1-c1nnc(O)n1-c1cccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
P2RX7 Q99572 2/20 0.35
TLR8 Q9NR97 1/20 0.34
PTPN11 Q06124 7/20 0.33
CYP2D6 P10635 1/20 0.33
MAOA P21397 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE3A Q14432 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PHGDH O43175 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL984870 0.89 NOTUM (0.36) NOTUMP2RX7
SCHEMBL987801 0.84 AKT1 (0.39) NOTUMP2RX7PTPN11CYP2D6MAOA
SCHEMBL982720 0.83 PTPN11 (0.35) NOTUMTLR8PTPN11CYP2D6MAOA
SCHEMBL985392 0.81 HCAR1 (0.36) CYP2D6
SCHEMBL985248 0.75 P2RX7 (0.46) P2RX7CYP2D6MAOAMAPK1ADRA1A
SCHEMBL985866 0.75 USP7 (0.37) NOTUMTLR8PTPN11DRD3
SCHEMBL987134 0.72 NOTUM (0.38) NOTUM
SCHEMBL984711 0.72 RXRA (0.36) NOTUMPTPN11
SCHEMBL987102 0.69 P2RX7 (0.43) NOTUMP2RX7PTPN11
SCHEMBL986352 0.69 P2RX7 (0.37) NOTUMP2RX7PTPN11CYP2D6MAOA

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 5 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
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 NOTUM 3643/4885P2RX7 3624/4885TLR8 4289/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOTUM 3643/4885P2RX7 3624/4885TLR8 4289/4885

“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.