3-Methylpyridine

3-Methylpyridine

SCHEMBL5743407

Cc1ccc(S(=O)(=O)O)cc1.Cc1cccnc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 3-Methylpyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR known ✓ P00533 1/20 0.52
▸ NAPRT Q6XQN6 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PTGS2 P35354 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NAMPT P43490 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
3-Methylpyridine SCHEMBL27722549 0.90 NAPRT (0.65) NAPRTALDH1A1LMNAMAPTTDP1
Pyridine SCHEMBL25354696 0.85 NAPRT (0.69) NAPRTALDH1A1LMNAMAPTTDP1
SCHEMBL16932053 0.85 NAPRT (0.54) NAPRTALDH1A1LMNAMAPTTDP1
SCHEMBL28728504 0.85 NAPRT (0.54) NAPRTALDH1A1LMNAMAPTTDP1
3-Methylpyridine SCHEMBL407437 0.85 NAPRT (0.55) NAPRTALDH1A1LMNAMAPTTDP1
Toluene SCHEMBL22071089 0.84 ALDH1A1 (0.55) NAPRTALDH1A1LMNAMAPTTDP1
Pyridine SCHEMBL20958 0.84 ALDH1A1 (0.58) NAPRTALDH1A1LMNAMAPTTDP1
Pyridine SCHEMBL7656088 0.84 ALDH1A1 (0.58) NAPRTALDH1A1LMNAMAPTTDP1
Pyrimidine SCHEMBL2352439 0.84 MAPT (0.58) NAPRTALDH1A1LMNAMAPTTDP1
Pyridine SCHEMBL2126952 0.84 ALDH1A1 (0.58) NAPRTALDH1A1LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122380-B Method for removing glycidyl ester by utilizing ionic liquid 丰益(上海)生物技术研发中心有限公司 2023-09-22 — — CN disclosed
EP-1288213-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL|ACETIC ACID DERIVATIVES KANEKA CORP (JP) 2006-11-29 — — EP disclosed
US-20060246557-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-11-02 — — US disclosed
US-7094594-B2 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-08-22 — — US disclosed
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2005-04-14 — — US disclosed
EP-1288213-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-03-05 — — 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-20060246557-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD EGFR 3420/4885NAPRT 3299/4885ALDH1A1 174/4885
US-20050080277-A1 Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives HAAO, APEH, HPD EGFR 3476/4885NAPRT 3288/4885ALDH1A1 207/4885

“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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