SCHEMBL5640957

SCHEMBL5640957

O=C(O)c1ccc2[nH]c(-c3ccc(OCCC4CCN(C(=O)c5ccccc5)CC4)cc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.76
HTR2B P41595 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL1552340 0.93 CHEK2 (0.88) CHEK2
SCHEMBL5641199 0.91 CHEK2 (0.75) CHEK2HTR2B
SCHEMBL1552385 0.90 CHEK2 (0.77) CHEK2HTR2BDHODH
SCHEMBL5640439 0.90 CHEK2 (0.74) CHEK2DHODH
SCHEMBL5638539 0.87 CHEK2 (0.77) CHEK2
SCHEMBL1553003 0.84 CHEK2 (0.87) CHEK2
SCHEMBL5639672 0.84 CHEK2 (0.74) CHEK2
SCHEMBL5639532 0.84 CHEK2 (0.77) CHEK2
SCHEMBL5639443 0.82 CHEK2 (0.76) CHEK2
SCHEMBL1552713 0.82 CHEK2 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250427-B2 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-31 US disclosed
US-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers JANSSEN PHARMACEUTICA, N. V. (BE) 2006-01-05 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-20060004039-A1 Aryl-substituted benzimidazole and imidazopyridine ethers WEE1, CDKN1A, DDB1 CHEK2 27/4885HTR2B 3184/4885DHODH 2890/4885

“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.