SCHEMBL985866

SCHEMBL985866

Nc1ncc(Br)cc1-c1nnc(O)n1-c1cccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.37
NOTUM Q6P988 2/20 0.34
AKT1 P31749 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTPN11 Q06124 7/20 0.33
DRD3 P35462 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MET P08581 1/20 0.32
HTT P42858 1/20 0.31
IGF1R P08069 1/20 0.31
TLR8 Q9NR97 1/20 0.31
DHFR P00374 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
SCHEMBL985584 0.90 USP7 (0.36) USP7NOTUMAKT1KMT2AMEN1
SCHEMBL985208 0.82 HCAR1 (0.32) AKT1KMT2AMEN1HTT
SCHEMBL987801 0.81 AKT1 (0.39) NOTUMAKT1PTPN11
SCHEMBL982720 0.81 PTPN11 (0.35) NOTUMPTPN11TLR8
SCHEMBL985033 0.78 P2RX7 (0.40) USP7AKT1KMT2AMEN1
SCHEMBL985302 0.78 KCNN4 (0.42)
SCHEMBL982287 0.77 GABRA1 (0.38) USP7NOTUMAKT1KMT2AMEN1
SCHEMBL985800 0.75 NOTUM (0.35) NOTUMPTPN11DRD3TLR8
SCHEMBL987134 0.71 NOTUM (0.38) NOTUMAKT1
SCHEMBL984711 0.70 RXRA (0.36) NOTUMPTPN11

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 USP7 2086/4885NOTUM 3643/4885AKT1 72/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 USP7 2086/4885NOTUM 3643/4885AKT1 72/4885

“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.