SCHEMBL1179697

SCHEMBL1179697

CCc1cc(-c2nc(-c3cc(C)nc(C)c3)no2)nc(C(N)CC(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.36
S1PR3 Q99500 11/20 0.36
SCN5A Q14524 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
AAK1 Q2M2I8 5/20 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
SCHEMBL1179886 0.90 SCN5A (0.35) S1PR1S1PR3SCN5ASCN10AAAK1
SCHEMBL1180309 0.80 S1PR1 (0.40) S1PR1S1PR3SCN5ASCN10AAAK1
SCHEMBL1179761 0.80 MAPT (0.34) S1PR1S1PR3
SCHEMBL1179431 0.76 ESR1 (0.49) S1PR1S1PR3
SCHEMBL1179721 0.76 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL1179699 0.76 ESR1 (0.37) S1PR1S1PR3
SCHEMBL1178943 0.74 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL1179358 0.73 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL1178939 0.73 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1179249 0.73 S1PR1 (0.34) S1PR1S1PR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US claimed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP claimed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO claimed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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 (1 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 S1PR1 766/4885S1PR3 709/4885SCN5A 4523/4885

“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.