Sugi Predict

Sugi Predict / Compounds / SCHEMBL306877

SCHEMBL306877

SCHEMBL306877

N#Cc1cccc2ncn(CC(=O)O)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ CSNK2A2 P19784 2/20 0.47
▸ CSNK2A1 P68400 2/20 0.47
▸ PTGS2 P35354 2/20 0.46
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ ADORA2B P29275 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AR P10275 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ EIF4EBP1 Q13541 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ APAF1 O14727 1/20 0.37

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
SCHEMBL10110183 0.87 KDM4E (0.40) EGLN3CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14291770 0.80 PTGS2 (0.49) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL3042764 0.79 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL6012147 0.79 DPP4 (0.43) CSNK2A2CSNK2A1EGLN3ADORA2BAR
SCHEMBL308328 0.79 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL306565 0.79 PTGS2 (0.48) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL308134 0.79 DPP4 (0.43) CSNK2A2CSNK2A1EGLN3ADORA2BAR
SCHEMBL3038500 0.79 CSNK2A2 (0.53) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL306478 0.77 PTGS2 (0.46) CSNK2A2CSNK2A1PTGS2EGLN3ADORA2B
SCHEMBL5436984 0.76 MAPT (0.53) CYP2C19KDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 — — EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 — — EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 — — US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 — — EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 — — WO claimed
EP-3908574-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE Neomed Institute (CA) 2021-11-17 — — EP disclosed
CN-113631544-A Crystalline forms of (S) -2- (7-cyano-1H-benzimidazol-1-yl) -N- {1- [4- (1-cyano-1-methylethyl) phenyl ] ethyl } acetamide 尼奥迈德研究所 - 研究所尼奥迈德 2021-11-09 — — CN disclosed
WO-2020142842-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2020-07-16 — — WO disclosed
WO-2020142842-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2020-07-16 — — WO disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 — — EP disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 — — WO disclosed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 — — EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 — — US disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 — — WO disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 — — EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 — — WO 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI STAT3 2109/4885CSNK2A2 1672/4885CSNK2A1 1707/4885
US-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 STAT3 1750/4885CSNK2A2 1386/4885CSNK2A1 1520/4885

“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.