SCHEMBL4513458

SCHEMBL4513458

CSc1nc(C)c(C(=O)NCCC(c2ccccc2)c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EPHX2 P34913 5/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CASR P41180 2/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4503143 0.89 CASR (0.45) SMN1; SMN2ALDH1A1MAPTMAPK1EPHX2
SCHEMBL4496864 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTMAPK1EPHX2
SCHEMBL4507291 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTMAPK1EPHX2
SCHEMBL4502648 0.87 TAAR1 (0.51) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4491438 0.86 L3MBTL1 (0.48) SMN1; SMN2KMT2ACNR1POLBPPARG
SCHEMBL4510156 0.85 TAAR1 (0.47) SMN1; SMN2ALDH1A1KMT2ACNR1POLB
SCHEMBL13936848 0.80 LMNA (0.42) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4504164 0.79 PTGFR (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL4504024 0.77 NPC1 (0.56) SMN1; SMN2EPHX2KMT2ACNR1POLB
SCHEMBL4504834 0.76 CNR2 (0.44) SMN1; SMN2MAPTCNR1CNR2CASR

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 SMN1; SMN2 758/4885ALDH1A1 2263/4885MAPT 2326/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E SMN1; SMN2 779/4885ALDH1A1 840/4885MAPT 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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