SCHEMBL308134

SCHEMBL308134

N#Cc1cccc2ncn(CCO)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
ADORA2B P29275 1/20 0.37
AR P10275 2/20 0.36
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
AGER Q15109 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
EIF4EBP1 Q13541 1/20 0.35
TGFBR1 P36897 1/20 0.34
PRPS1 P60891 2/20 0.34
FGFR1 P11362 1/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL6012147 1.00 DPP4 (0.43) DPP4DPP8USP2MAPK1TDP1
SCHEMBL306877 0.79 STAT3 (0.47) LMNAADORA2BARCSNK2A1CSNK2A2
SCHEMBL14291769 0.79 DPP4 (0.49) DPP4DPP8TDP1LMNAADORA2B
SCHEMBL10110183 0.78 KDM4E (0.40) USP2MAPK1AREGLN3EIF4EBP1
SCHEMBL308832 0.78 DPP4 (0.58) DPP4DPP8MAPK1TDP1LMNA
SCHEMBL307334 0.78 DPP4 (0.45) DPP4DPP8TDP1LMNAADORA2B
SCHEMBL3029115 0.78 PRPS1 (0.51) DPP4DPP8TDP1LMNAADORA2B
SCHEMBL21486449 0.75 DPP4 (0.45) DPP4DPP8USP2MAPK1FGFR1
SCHEMBL4453299 0.74 DPP4 (0.45) DPP4DPP8TDP1LMNAADORA2B
SCHEMBL3037931 0.74 PRPS1 (0.54) DPP4DPP8MAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN 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
US-20220089550-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) 2022-03-24 US 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
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 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
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
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN 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 (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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI DPP4 930/4885DPP8 1096/4885USP2 4505/4885
US-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DPP4 154/4885DPP8 170/4885USP2 4601/4885
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE ACMSD, AMY1A, ACACA DPP4 2161/4885DPP8 2076/4885USP2 3197/4885

“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.