SCHEMBL4503262

SCHEMBL4503262

CSc1nc(C)c(C(=O)NCCCc2ccccc2)c(-c2cccnc2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ PTAFR P25105 4/20 0.49
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ PTGFR P43088 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ASAH1 Q13510 1/20 0.43

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
SCHEMBL4498231 0.89 EPHX2 (0.57) EPHX2L3MBTL1PTAFRTSHRALDH1A1
SCHEMBL4509962 0.88 EPHX2 (0.58) EPHX2L3MBTL1PTAFRTSHRALDH1A1
SCHEMBL4512752 0.88 EPHX2 (0.58) EPHX2L3MBTL1PTAFRTSHRALDH1A1
SCHEMBL4509724 0.86 CNR1 (0.61) L3MBTL1TSHRALDH1A1KDM4ECNR1
SCHEMBL4505558 0.85 L3MBTL1 (0.52) L3MBTL1PTAFRTSHRKDM4ECNR1
SCHEMBL4515273 0.84 L3MBTL1 (0.53) L3MBTL1TSHRALDH1A1KDM4ECNR1
SCHEMBL4494247 0.83 L3MBTL1 (0.50) L3MBTL1TSHRALDH1A1KDM4ECNR1
SCHEMBL4515788 0.83 L3MBTL1 (0.50) L3MBTL1TSHRKDM4ECNR1SMN1; SMN2
SCHEMBL4509768 0.83 L3MBTL1 (0.49) L3MBTL1TSHRALDH1A1KDM4ECNR1
SCHEMBL13936914 0.83 L3MBTL1 (0.49) L3MBTL1TSHRKDM4ECNR1SMN1; SMN2

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

“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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