SCHEMBL4507136

SCHEMBL4507136

COc1ccc(-c2nc(SC)nc(C)c2C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2B6 P20813 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ SLC6A5 Q9Y345 2/20 0.45

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
SCHEMBL4509724 0.90 CNR1 (0.61) TP53L3MBTL1CNR1KMT2ATSHR
SCHEMBL4500987 0.90 KMT2A (0.51) TP53L3MBTL1KMT2AMEN1TSHR
SCHEMBL4515273 0.88 L3MBTL1 (0.53) L3MBTL1CNR1KMT2AMEN1TSHR
SCHEMBL13936914 0.87 L3MBTL1 (0.49) L3MBTL1CNR1TSHRMAPT
SCHEMBL4498526 0.87 L3MBTL1 (0.54) TP53L3MBTL1CNR1KMT2AMEN1
SCHEMBL4498552 0.87 TP53 (0.47) TP53L3MBTL1CNR1TSHRLMNA
SCHEMBL4490941 0.86 L3MBTL1 (0.51) TP53L3MBTL1CNR1TSHR
SCHEMBL4504024 0.86 NPC1 (0.56) L3MBTL1CNR1KMT2ATSHRCYP2D6
SCHEMBL4504834 0.85 CNR2 (0.44) TP53L3MBTL1CNR1TSHRLMNA
SCHEMBL4503508 0.85 L3MBTL1 (0.49) TP53L3MBTL1CNR1TSHR

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 TP53 3199/4885L3MBTL1 4045/4885CNR1 132/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E TP53 3456/4885L3MBTL1 4103/4885CNR1 181/4885

“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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