SCHEMBL4500987

SCHEMBL4500987

COc1cccc(-c2nc(SC)nc(C)c2C(=O)NCCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MTNR1A P48039 3/20 0.47
▸ MTNR1B P49286 2/20 0.47
▸ PTAFR P25105 2/20 0.47
▸ PTGDR Q13258 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2B6 P20813 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LHCGR P22888 1/20 0.46
▸ ASAH1 Q13510 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL4502446 0.90 TP53 (0.52) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL4507136 0.90 TP53 (0.54) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL4504004 0.89 TP53 (0.53) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL4505558 0.89 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1PTAFRTSHR
SCHEMBL4494247 0.87 L3MBTL1 (0.50) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL4515788 0.87 L3MBTL1 (0.50) TP53L3MBTL1TSHRLHCGR
SCHEMBL13936914 0.87 L3MBTL1 (0.49) MAPTL3MBTL1TSHR
SCHEMBL4498552 0.86 TP53 (0.47) MAPTTP53L3MBTL1TSHRALDH1A1
SCHEMBL4504834 0.85 CNR2 (0.44) MAPTTP53L3MBTL1TSHR
SCHEMBL4503508 0.85 L3MBTL1 (0.49) TP53L3MBTL1PTAFRTSHR

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 KMT2A 4314/4885MEN1 4367/4885MAPT 2326/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E KMT2A 3758/4885MEN1 3638/4885MAPT 2073/4885

“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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