SCHEMBL689813

SCHEMBL689813

c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SCN10A Q9Y5Y9 2/20 0.45
HPGDS O60760 3/20 0.42
SCN3A Q9NY46 2/20 0.41
SCN9A Q15858 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SSTR3 P32745 4/20 0.40
KCNH2 Q12809 4/20 0.40
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL2775603 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160014 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160056 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL18475635 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160094 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL19689541 0.98 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL21531494 0.98 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL22613427 0.98 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL9284198 0.98 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL9280936 0.98 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503557-A A kind of industrialized preparing process of his Wei key intermediate of Dacca 常州吉恩药业有限公司 2019-03-22 CN claimed
US-20170354644-A1 Polymorphic Forms of Methyl((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl) carbonyl)-2-methylpropyl)carbamate and Salts Thereof CIPLA LIMITED (IN) 2017-12-14 US claimed
WO-2016079697-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE OF DACLATASVIR DIHYDROCHLORIDE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-05-26 WO claimed
WO-2016075588-A1 STABLE AMORPHOUS DACLATASVIR DIHYDROCHLORIDE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-05-19 WO claimed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
EP-2049522-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US claimed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US disclosed
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US disclosed
CN-109503557-A A kind of industrialized preparing process of his Wei key intermediate of Dacca 常州吉恩药业有限公司 2019-03-22 CN disclosed
CN-109503557-A A kind of industrialized preparing process of his Wei key intermediate of Dacca 常州吉恩药业有限公司 2019-03-22 CN disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (5 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-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof CYCS, COASY, CAT MAPK13 1700/4885MAPK12 2089/4885MAPK11 1714/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPK13 3291/4885MAPK12 3437/4885MAPK11 3947/4885
US-20170354644-A1 Polymorphic Forms of Methyl((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinyl)-1H-imidazol-5-yl)-4-biphenylyl)-1H-imidazol-2-yl)-1-pyrrolidinyl) carbonyl)-2-methylpropyl)carbamate and Salts Thereof MECP2, CPS1, MAT2A MAPK13 3977/4885MAPK12 4392/4885MAPK11 3400/4885
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF CYCS, COASY, CAT MAPK13 1730/4885MAPK12 2115/4885MAPK11 1724/4885

“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.