SCHEMBL3042764

SCHEMBL3042764

Cc1cccc2ncn(CC(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
ADORA2B P29275 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
TBXA2R P21731 1/20 0.43
GUSB P08236 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
APAF1 O14727 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NTRK1 P04629 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL12985518 0.86 ALDH1A1 (0.42) TBXA2RGUSBCYP11B1CYP11B2NTRK1
SCHEMBL14291770 0.86 PTGS2 (0.49) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL306478 0.82 PTGS2 (0.46) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3038500 0.81 CSNK2A2 (0.53) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL306565 0.81 PTGS2 (0.48) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL308328 0.81 PTGS2 (0.48) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3048018 0.81 PTGS2 (0.44) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL4982524 0.79 TSHR (0.46) PTGS2SMN1; SMN2HTT
SCHEMBL306877 0.79 STAT3 (0.47) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3038422 0.79 USP2 (0.46) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3

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 15 patents. 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
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US 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 (1 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 PTGS2 2329/4885CSNK2A2 1672/4885CSNK2A1 1707/4885

“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.