SCHEMBL3925875

SCHEMBL3925875

COc1ccc(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2Cl)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.73
PDE4A P27815 5/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
PDE4D Q08499 5/20 0.52
TTR P02766 1/20 0.47

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
SCHEMBL3919956 0.92 CHEK2 (0.85) CHEK2
SCHEMBL3919047 0.89 CHEK2 (0.71) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL3919602 0.88 CHEK2 (0.72) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL15455891 0.86 PDE4A (0.65) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL5257094 0.86 CHEK2 (0.70) CHEK2
SCHEMBL6646115 0.86 CHEK2 (0.64) CHEK2
SCHEMBL3918439 0.86 CHEK2 (0.73) CHEK2
SCHEMBL3917094 0.82 CHEK2 (0.85) CHEK2
SCHEMBL3917065 0.82 CHEK2 (0.86) CHEK2
SCHEMBL3928040 0.81 CHEK2 (0.84) CHEK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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 (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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885PDE4A 2347/4885PDE4B 2818/4885

“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.