SCHEMBL4504537

SCHEMBL4504537

Cc1nc(-c2cccnc2)nc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.50
▸ PTAFR P25105 5/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NAMPT P43490 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ PTGFR P43088 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ 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
SCHEMBL4506315 0.97 PTAFR (0.52) EPHX2PTAFRL3MBTL1NAMPTRXFP1
SCHEMBL4505104 0.95 PTGFR (0.49) PTAFRNAMPTRXFP1PTGFRP2RX7
SCHEMBL4509189 0.90 EPHX2 (0.51) EPHX2PTAFRL3MBTL1NAMPTPTGFR
SCHEMBL4509962 0.90 EPHX2 (0.58) EPHX2PTAFRL3MBTL1NAMPTCNR1
SCHEMBL4499183 0.90 EPHX2 (0.52) EPHX2PTAFRL3MBTL1NAMPTCNR1
SCHEMBL4502805 0.89 L3MBTL1 (0.48) PTAFRL3MBTL1CNR1NPC1RAB9A
SCHEMBL4507646 0.89 PTAFR (0.57) EPHX2PTAFRL3MBTL1NAMPTCNR1
SCHEMBL4512752 0.88 EPHX2 (0.58) EPHX2PTAFRL3MBTL1NAMPTCNR1
SCHEMBL4507240 0.87 PTAFR (0.52) EPHX2PTAFRL3MBTL1NAMPTPTGFR
SCHEMBL4492085 0.86 TAAR1 (0.53) RXFP1NPC1RAB9ATAAR1EIF4E

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 EPHX2 1239/4885PTAFR 1396/4885L3MBTL1 4045/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E EPHX2 1283/4885PTAFR 2229/4885L3MBTL1 4103/4885

“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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