SCHEMBL4506315

SCHEMBL4506315

Cc1nc(-c2cccnc2)nc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 10/20 0.52
▸ EPHX2 P34913 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ PTGFR P43088 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ ASAH1 Q13510 1/20 0.42
▸ EIF4E P06730 1/20 0.42

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
SCHEMBL4504537 0.97 EPHX2 (0.50) PTAFREPHX2RXFP1NAMPTGBA1
SCHEMBL4505104 0.94 PTGFR (0.49) PTAFRRXFP1NAMPTPTGFRP2RX7
SCHEMBL4502805 0.92 L3MBTL1 (0.48) PTAFRL3MBTL1TAAR1EIF4E
SCHEMBL4509189 0.90 EPHX2 (0.51) PTAFREPHX2NAMPTGBA1PTGFR
SCHEMBL4509962 0.87 EPHX2 (0.58) PTAFREPHX2NAMPTGBA1PTGFR
SCHEMBL4499183 0.87 EPHX2 (0.52) PTAFREPHX2NAMPTGBA1PTGFR
SCHEMBL4507646 0.86 PTAFR (0.57) PTAFREPHX2NAMPTGBA1PTGFR
SCHEMBL4492085 0.86 TAAR1 (0.53) RXFP1TAAR1EIF4E
SCHEMBL4512752 0.86 EPHX2 (0.58) PTAFREPHX2NAMPTGBA1PTGFR
SCHEMBL4498922 0.85 TAAR1 (0.49) L3MBTL1TAAR1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 — — US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 — — EP 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E PTAFR 1396/4885EPHX2 1239/4885RXFP1 2538/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E PTAFR 2229/4885EPHX2 1283/4885RXFP1 1982/4885

“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.

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