SCHEMBL4502689

SCHEMBL4502689

Cc1nc(C)c(C(=O)NCC=Cc2ccccc2)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.50
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PTGFR P43088 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL4502686 1.00 CACNA1B (0.50) CACNA1BMAOAMAOBADORA3GHSR
SCHEMBL13936857 0.92 CACNA1B (0.45) CACNA1BMAOAMAOBADORA3MAPT
SCHEMBL4501773 0.91 CACNA1B (0.49) CACNA1BMAOAMAOBADORA3GHSR
SCHEMBL4501775 0.91 CACNA1B (0.49) CACNA1BMAOAMAOBADORA3GHSR
SCHEMBL4509699 0.89 CACNA1B (0.47) CACNA1BMAOAMAOBADORA3GHSR
SCHEMBL4509701 0.89 CACNA1B (0.47) CACNA1BMAOAMAOBADORA3GHSR
SCHEMBL4509848 0.85 CACNA1B (0.45) CACNA1BMAOAMAOBMAPTALDH1A1
SCHEMBL4509846 0.85 CACNA1B (0.45) CACNA1BMAOAMAOBMAPTALDH1A1
SCHEMBL13936850 0.80 CACNA1B (0.42) CACNA1BMAOAMAOBADORA3MAPT
SCHEMBL4502879 0.79 L3MBTL1 (0.53) MAPTALDH1A1KDM4EHPGDKMT2A

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 5 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-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-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 CACNA1B 2/4885MAOA 3209/4885MAOB 2520/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E CACNA1B 2/4885MAOA 2461/4885MAOB 2121/4885

“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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