SCHEMBL319113

SCHEMBL319113

Cc1ccncc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
Ethylene SCHEMBL27749109 0.96 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAARAB9A
Acetic Acid SCHEMBL28009360 0.91 TSHR (0.47) HSD17B10ALDH1A1HTTGAARAB9A
SCHEMBL171809 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1HTTGAARAB9A
Ethoxycarbonyl Group SCHEMBL28254512 0.83 HTT (0.39) HSD17B10ALDH1A1HTTGAARAB9A
Ammonia Solution, Strong SCHEMBL27551880 0.82 HSD17B10 (0.50) HSD17B10ALDH1A1HTTGAARAB9A
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1HTTGAARAB9ATSHR
SCHEMBL27613328 0.77 HSD17B10 (0.46) HSD17B10ALDH1A1HTTGAARAB9A
SCHEMBL4436893 0.77 HSD17B10 (0.50) HSD17B10ALDH1A1HTTGAATSHR
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1HTTGAARAB9ATSHR
SCHEMBL12343951 0.76 ALDH1A1 (0.46) ALDH1A1HTTGAARAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980018-A Preparation method of 6-azaindole 苏州艾缇克药物化学有限公司 2022-01-28 CN claimed
CN-108822135-B Synthesis method of nitrogen heterocyclic ring substituted thieno [3, 2-d ] thiazole and derivatives thereof 湘潭大学 2021-02-02 CN claimed
CN-110015988-B Preparation method of 3-amino-4-methylpyridine 新发药业有限公司 2020-06-23 CN claimed
CN-110746348-A Preparation method of 4-methyl-3-bromopyridine 常州传侑环保科技有限公司 2020-02-04 CN claimed
CN-110015988-A A kind of simple and convenient process for preparing of low cost 3- amino-4-methylpyridine 新发药业有限公司 2019-07-16 CN claimed
CN-109761891-A A kind of preparation method of 4- methyl -3- bromopyridine 丹阳市宁大卫防检测技术有限公司 2019-05-17 CN claimed
CN-109201010-A A kind of preparation method of the adsorbent material based on modified konjac glucomannan 陕西镇安华兴特色农产品开发有限公司 2019-01-15 CN claimed
CN-106187870-A A kind of 4 picoline location nitrations are the method for 3 nitro 4 picolines 南京红太阳生物化学有限责任公司 2016-12-07 CN claimed
CN-103608393-B The mono bath autodeposition coatings of metal base and preparation and application thereof for combination 汉高股份有限及两合公司 2016-08-17 CN claimed
CN-104945314-A Method for preparing 3-bromo-4-methylpyridine HONG SHUAIJIN 2015-09-30 CN claimed
CN-102161711-A Method for preparing absorbing material based on modified konjac glucomannan UNIV SW SCI & TECH SWUST 2011-08-24 CN claimed
JP-4691506-B2 2011-06-01 JP claimed
US-7626027-B2 Substituted 1H-pyrrolo[2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase Iε AVENTIS PHARMACEUTICALS INC (US) 2009-12-01 US claimed
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed
CN-100439367-C Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMA INC (US) 2008-12-03 CN claimed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US claimed
EP-1747220-A1 SUBSTITUTED 1H-PYRROLO 3,2-B, 3,2-C, AND 2,3-C¨PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals Inc. (US) 2007-01-31 EP claimed
CN-1906194-A Substituted 1H-pyrrolo [3, 2-b, 3, 2-c and 2, 3-c ] pyridine-2-carboxamides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2007-01-31 CN claimed
WO-2005061498-A1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2005-07-07 WO claimed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 US claimed

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-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 HSD17B10 3528/4885ALDH1A1 3613/4885HTT 3995/4885
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon CSNK2A3, PACSIN2, CSNK1G3 HSD17B10 2865/4885ALDH1A1 4044/4885HTT 3317/4885

“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.