SCHEMBL4507646

SCHEMBL4507646

Cc1cccc(-c2nc(-c3cccnc3)nc(C)c2C(=O)NCCCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 5/20 0.57
▸ EPHX2 P34913 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ PTGFR P43088 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL4509962 0.93 EPHX2 (0.58) PTAFREPHX2L3MBTL1KDM4EPOLB
SCHEMBL4502943 0.92 L3MBTL1 (0.53) PTAFRL3MBTL1KDM4EPOLBCNR1
SCHEMBL4507240 0.91 PTAFR (0.52) PTAFREPHX2L3MBTL1KDM4EPOLB
SCHEMBL4509189 0.91 EPHX2 (0.51) PTAFREPHX2L3MBTL1NAMPTPTGFR
SCHEMBL4512752 0.91 EPHX2 (0.58) PTAFREPHX2L3MBTL1KDM4EPOLB
SCHEMBL13955313 0.90 EPHX2 (0.50) PTAFREPHX2L3MBTL1KDM4EPOLB
SCHEMBL4507410 0.90 PTAFR (0.58) PTAFREPHX2L3MBTL1NAMPTMAPT
SCHEMBL4504537 0.89 EPHX2 (0.50) PTAFREPHX2L3MBTL1NAMPTCNR1
SCHEMBL4499183 0.88 EPHX2 (0.52) PTAFREPHX2L3MBTL1KDM4EPOLB
SCHEMBL4505627 0.88 ALDH1A1 (0.54) PTAFREPHX2L3MBTL1MAPTNPC1

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