SCHEMBL692100

SCHEMBL692100

COC(=O)Nc1cnccc1C

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ CHUK O15111 1/20 0.46
▸ GSK3B P49841 2/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATR Q13535 2/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL28308599 0.86 ATR (0.45) MAPTMEN1KMT2AGSK3BSIRT3
SCHEMBL28313914 0.86 GSK3B (0.43) MAPTMEN1KMT2AGSK3BSIRT3
SCHEMBL15432258 0.86 HPGD (0.49) HPGDMAPTMEN1KMT2APKM
SCHEMBL555073 0.83 NAMPT (0.48) MAPTGSK3BSIRT3TDP1ATR
SCHEMBL2033252 0.83 KDM4C (0.50) MAPTMEN1KMT2AGSK3BSIRT3
SCHEMBL30600744 0.83 KDM4C (0.50) MAPTMEN1KMT2AGSK3BSIRT3
SCHEMBL1637363 0.81 ALDH1A1 (0.55) HPGDMAPTMEN1KMT2ACHUK
SCHEMBL30418934 0.81 ALDH1A1 (0.55) HPGDMAPTMEN1KMT2ACHUK
SCHEMBL896640 0.81 KMT2A (0.51) HPGDMAPTMEN1KMT2ATDP1
SCHEMBL15432248 0.81 KDM4E (0.51) HPGDMAPTMEN1KMT2ACHUK

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898195-A Synthesis method of tofacitinib intermediate 常州锐博生物科技有限公司 2021-06-04 — — CN claimed
CN-112876410-A Preparation method of N- (4-methylpyridine-3-yl) methyl carbamate 南通雅本化学有限公司 2021-06-01 — — CN claimed
CN-104860872-A Bis-(3R,4R)-1-benzyl-N,4-dimethyl piperidin-3-amine L-di-p-toluyl tartrate synthesis method TIANJIN INST PHARM RESEARCH 2015-08-26 — — CN claimed
CN-114835714-A Preparation method of tofacitinib 上海蓝乐鸟实业有限公司 2022-08-02 — — CN disclosed
CN-114685515-A Preparation method of tofacitinib 上海蓝乐鸟实业有限公司 2022-07-01 — — CN disclosed
CN-112898195-A Synthesis method of tofacitinib intermediate 常州锐博生物科技有限公司 2021-06-04 — — CN disclosed
CN-112898195-A Synthesis method of tofacitinib intermediate 常州锐博生物科技有限公司 2021-06-04 — — CN disclosed
CN-112876410-A Preparation method of N- (4-methylpyridine-3-yl) methyl carbamate 南通雅本化学有限公司 2021-06-01 — — CN disclosed
CN-112876410-A Preparation method of N- (4-methylpyridine-3-yl) methyl carbamate 南通雅本化学有限公司 2021-06-01 — — CN disclosed
CN-112876410-A Preparation method of N- (4-methylpyridine-3-yl) methyl carbamate 南通雅本化学有限公司 2021-06-01 — — CN disclosed
CN-112679506-A Preparation method of tofacitinib citrate 山东天铭医药科技有限公司 2021-04-20 — — CN disclosed
WO-2010123919-A2 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, LLC (US) 2010-10-28 — — WO disclosed
WO-2010123919-A2 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, LLC (US) 2010-10-28 — — WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 — — WO disclosed
EP-1913000-A2 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES; THEIR INTERMEDIATES AND SYNTHESIS Pfizer Products Inc. (US) 2008-04-23 — — EP disclosed
WO-2007012953-A2 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES; THEIR INTERMEDIATES AND SYNTHESIS PFIZER PRODUCTS INC. (US) 2007-02-01 — — WO disclosed
US-7084277-B2 Reacting 1-alkoxycarbonyl-3-oxo piperidine compound with an amine; reducing with reducing agent PFIZER INC. (US) 2006-08-01 — — US disclosed
EP-1572649-A2 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Pfizer Products Inc. (US) 2005-09-14 — — EP disclosed
WO-2004046112-A2 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION PFIZER PRODUCTS INC. (US) 2004-06-03 — — WO disclosed
US-20040102627-A1 3-Amino-piperadine derivatives and methods of manufacture PFIZER INC. 2004-05-27 — — US 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 (1 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-20040102627-A1 3-Amino-piperadine derivatives and methods of manufacture PRMT5, SRM, CYP1B1 HPGD 1062/4885MAPT 4130/4885MEN1 1613/4885

“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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