SCHEMBL12662076

SCHEMBL12662076

CN1CCOc2cc(-c3nc4c(C(=O)Nc5cnccn5)cccc4[nH]3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 5/20 0.43
▸ PKN2 Q16513 5/20 0.43
▸ PARP1 P09874 10/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ GRM5 P41594 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PARP2 Q9UGN5 5/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ UHRF1 Q96T88 1/20 0.38
▸ AURKB Q96GD4 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CHEK2 O96017 1/20 0.37

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
SCHEMBL12662034 0.91 PARP1 (0.42) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12661900 0.89 CLK2 (0.46) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12662058 0.88 PKN1 (0.40) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12662063 0.86 MEN1 (0.40) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12661897 0.85 PKN1 (0.40) PKN1PKN2PARP1DHODHTRPV4
SCHEMBL12662152 0.84 PARP1 (0.40) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12662036 0.83 NPC1 (0.43) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12662059 0.83 NPC1 (0.40) PKN1PKN2PARP1DHODHGRM5
SCHEMBL12673200 0.78 PARP1 (0.47) PKN1PKN2PARP1DHODHTRPV4
SCHEMBL12673115 0.78 PKN1 (0.57) PKN1PKN2PARP1DHODHPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PKN1 1869/4885PKN2 2053/4885PARP1 287/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PKN1 2208/4885PKN2 2566/4885PARP1 331/4885

“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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