SCHEMBL2643075

SCHEMBL2643075

[CH2]c1nc(C(=O)CC)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL2643079 0.80 RAB9A (0.47) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2643508 0.78 — —
SCHEMBL27917048 0.77 TLR7 (0.40) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642436 0.77 ALDH1A1 (0.60) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642634 0.77 PLA2G4A (0.37) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642435 0.77 PLA2G4A (0.37) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642636 0.77 RAB9A (0.40) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL2642827 0.77 HIF1A (0.41) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL25446548 0.76 PLA2G4A (0.46) PLA2G4AMAPTNPC1RAB9AALDH1A1
SCHEMBL22462576 0.76 PLA2G4A (0.54) PLA2G4AMAPTNPC1RAB9AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PLA2G4A 2009/4885MAPT 4596/4885NPC1 4261/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PLA2G4A 2088/4885MAPT 4612/4885NPC1 4274/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PLA2G4A 2009/4885MAPT 4596/4885NPC1 4261/4885

“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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