SCHEMBL985248

SCHEMBL985248

Nc1nccnc1-c1nncn1-c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.46
HCAR1 Q9BXC0 1/20 0.38
CYP11B2 P19099 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAOA P21397 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34
SCN4A P35499 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
PDE3A Q14432 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL986323 0.87 HCAR1 (0.40) P2RX7HCAR1ALDH1A1
SCHEMBL982271 0.84 P2RX7 (0.49) P2RX7HCAR1ALDH1A1
SCHEMBL986356 0.83 P2RX7 (0.41) P2RX7HCAR1CYP11B2CYP2D6MAOA
SCHEMBL984874 0.80 HCAR1 (0.39) HCAR1ALDH1A1
SCHEMBL985800 0.75 NOTUM (0.35) P2RX7CYP2D6MAOAMAPK1ADRA1A
SCHEMBL985033 0.74 P2RX7 (0.40) P2RX7HCAR1ALDH1A1
SCHEMBL986522 0.73 P2RX7 (0.39) P2RX7HCAR1ALDH1A1
SCHEMBL4405450 0.73 P2RX7 (0.41) P2RX7MAPK1
SCHEMBL4409477 0.72 MAP4K4 (0.47) P2RX7ALDH1A1
SCHEMBL8290895 0.72 P2RX7 (0.45) P2RX7HCAR1ALDH1A1

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 P2RX7 3624/4885HCAR1 4131/4885CYP11B2 3746/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 P2RX7 3624/4885HCAR1 4131/4885CYP11B2 3746/4885

“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.