SCHEMBL3579641

SCHEMBL3579641

Cc1ccc(C(O)c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.69
NR4A2 P43354 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL5677590 0.91 CHEK2 (0.82) CHEK2NR4A2
SCHEMBL1379268 0.90 CHEK2 (0.84) CHEK2
SCHEMBL3564159 0.90 CHEK2 (0.67) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3573429 0.87 CHEK2 (0.67) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3568045 0.85 CHEK2 (0.67) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3564296 0.85 CHEK2 (0.70) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL5897567 0.84 CHEK2 (0.69) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3566948 0.84 CHEK2 (0.69) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3565186 0.84 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL5189120 0.84 CHEK2 (0.69) CHEK2NR4A2KDM4EALDH1A1HPGD

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-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 US disclosed
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885NR4A2 969/4885KDM4E 3815/4885

“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.