SCHEMBL12673105

SCHEMBL12673105

O=C(Nc1ccncc1)c1cccc2[nH]c(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.51
▸ PKN1 Q16512 4/20 0.47
▸ PKN2 Q16513 4/20 0.47
▸ CLK2 P49760 2/20 0.45
▸ CHEK2 O96017 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PHKG2 P15735 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ PRKX P51817 1/20 0.43

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
SCHEMBL12662558 0.92 PARP1 (0.55) PARP1CLK2CHEK2AURKBHTT
SCHEMBL12673169 0.90 CLK2 (0.57) PARP1PKN1PKN2CLK2DYRK1A
SCHEMBL13551059 0.89 PARP1 (0.49) PARP1CLK2CHEK2AURKBDHODH
SCHEMBL13551074 0.88 PARP1 (0.66) PARP1PKN1PKN2CLK2CHEK2
SCHEMBL12673141 0.85 PARP1 (0.52) PARP1PKN1PKN2DHODHPARP2
SCHEMBL12673080 0.85 PARP1 (0.51) PARP1PKN1PKN2CLK2CHEK2
SCHEMBL12662556 0.84 PARP1 (0.55) PARP1CLK2CHEK2AURKBHTT
SCHEMBL12662057 0.84 PARP1 (0.48) PARP1PKN1PKN2CLK2DHODH
SCHEMBL12673320 0.83 PARP1 (0.48) PARP1
SCHEMBL1895520 0.82 DHODH (0.60) PARP1DHODH

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
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-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 PARP1 287/4885PKN1 1869/4885PKN2 2053/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885PKN1 2208/4885PKN2 2566/4885

“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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