SCHEMBL20982743

SCHEMBL20982743

CN(C)CCCCOc1ccc2nc(-c3ccc(-c4nc5ccc(O)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 4/20 0.63
▸ ACHE P22303 6/20 0.62
▸ PLG P00747 4/20 0.53
▸ PLAU P00749 4/20 0.53
▸ CHEK1 O14757 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ MAP2K2 P36507 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ PRKX P51817 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ LIMK1 P53667 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ PRKCQ Q04759 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51

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
SCHEMBL21017802 0.99 CHEK2 (0.62) CHEK2ACHEPLGPLAUCHEK1
SCHEMBL23153375 0.99 CHEK2 (0.62) CHEK2ACHEPLGPLAUCHEK1
SCHEMBL21017788 0.97 CHEK2 (0.67) CHEK2ACHEPLGPLAUCHEK1
SCHEMBL20982566 0.93 ACHE (0.70) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL23153377 0.92 ACHE (0.69) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL21018057 0.92 ACHE (0.69) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL20982619 0.90 CHEK2 (0.72) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL21018380 0.88 CHEK2 (0.71) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL21017583 0.88 ACHE (0.64) CHEK2ACHEPLGPLAUKDM4E
SCHEMBL21017795 0.88 CHEK2 (0.67) CHEK2ACHEPLGPLAUKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 — — US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 — — US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 — — EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 — — US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 — — 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 (2 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885PLG 4082/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885PLG 4082/4885

“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.

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