SCHEMBL4504024

SCHEMBL4504024

CSc1nc(C)c(C(=O)NCCCc2ccccc2)c(-c2ccc(C(C)C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ EPHX2 P34913 2/20 0.42

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
SCHEMBL4515273 0.90 L3MBTL1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4509724 0.90 CNR1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4509589 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4491438 0.87 L3MBTL1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL13936914 0.87 L3MBTL1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4490941 0.86 L3MBTL1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4507136 0.86 TP53 (0.54) L3MBTL1CNR1TSHRLMNACYP2D6
SCHEMBL4509768 0.85 L3MBTL1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4503508 0.85 L3MBTL1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4510156 0.85 TAAR1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1

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 NPC1 1982/4885RAB9A 1373/4885SMN1; SMN2 758/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E NPC1 1318/4885RAB9A 1765/4885SMN1; SMN2 779/4885

“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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