SCHEMBL558522

SCHEMBL558522

Nc1nc2c(s1)CCCC2

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.95
APOBEC3G Q9HC16 1/20 0.95
PDK1 Q15118 3/20 0.54
FBP1 P09467 2/20 0.54
ADRA2A P08913 5/20 0.50
ADRA2B P18089 5/20 0.50
ADRA2C P18825 5/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
OPRK1 P41145 2/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
RAD52 P43351 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Iodide SCHEMBL4937558 0.98 APOBEC3A (0.91) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL1670074 0.98 APOBEC3A (1.00) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
Hydrochloric Acid SCHEMBL27990499 0.98 APOBEC3A (0.91) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL4940807 0.98 APOBEC3A (0.91) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL26113827 0.98 APOBEC3A (0.91) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL23666043 0.98 APOBEC3A (1.00) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
Hydrochloric Acid SCHEMBL27899743 0.98 APOBEC3A (0.91) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
Iodide SCHEMBL4937555 0.96 APOBEC3A (0.88) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
Hydrochloric Acid SCHEMBL27906695 0.96 APOBEC3A (0.88) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL624175 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875615-A Methoxybenzyl urea compound and application thereof 济南大学 2020-11-03 CN claimed
CN-107935962-A The preparation method of 6s n-pentyl Pramipexole impurity 山东新华制药股份有限公司 2018-04-20 CN claimed
CN-105753812-B The synthetic method of body of Pramipexole dihydrochloride intermediate 赤峰赛林泰药业有限公司 2017-12-08 CN claimed
CN-105936628-A Synthesis method of pramipexole hydrochloride intermediate 赤峰赛林泰药业有限公司 2016-09-14 CN claimed
CN-103613562-B Preparation method of pramipexole ZHEJIANG MENOVO PHARMACEUTICALS Co.,Ltd. (CN) 2015-09-30 CN claimed
CN-104177309-A Preparation process for pramipexole BEIJING KAIRUI KEDE DRUG TECHNOLOGY RES CO LTD 2014-12-03 CN claimed
CN-103613562-A Preparation method of pramipexole ZHEJIANG MENOVO PHARMACEUTICALS CO LTD 2014-03-05 CN claimed
CN-102442972-A Industrial preparation method of pramipexole and dihydrochloride monohydrate thereof JINAN FUCHUANG MEDICAL TECHNOLOGY CO LTD 2012-05-09 CN claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
JP-2007522171-A 2007-08-09 JP claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
CN-1834092-A Prepn. of pramipexole JIANG NENGQIAO (CN) 2006-09-20 CN claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
CN-1117564-C Use of prumipexole in the treating of restless legs syndrome UPJOHN CO (US) 2003-08-13 CN claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
CN-1243439-A Use of prumipexole in the treating of restless legs syndrome UPJOHN CO (US) 2000-02-02 CN 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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 APOBEC3A 4882/4885APOBEC3G 4855/4885PDK1 987/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 APOBEC3A 4799/4885APOBEC3G 4859/4885PDK1 446/4885
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 APOBEC3A 4636/4885APOBEC3G 4410/4885PDK1 1136/4885

“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.