SCHEMBL12673305

SCHEMBL12673305

O=C(Nc1cnccn1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.62
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PKN1 Q16512 3/20 0.47
▸ PKN2 Q16513 3/20 0.47
▸ DHODH Q02127 2/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ DYRK1A Q13627 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ PIN1 Q13526 1/20 0.42

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
SCHEMBL12673307 0.89 PARP1 (0.64) PARP1PKN1PKN2DHODHPARP2
SCHEMBL12673102 0.87 PARP1 (0.62) PARP1PKN1PKN2PARP2DYRK1A
SCHEMBL12673087 0.86 DHODH (0.59) PARP1ALOX15TSHRCASP1NPSR1
SCHEMBL12673115 0.86 PKN1 (0.57) PARP1PKN1PKN2DHODHPARP2
SCHEMBL12673186 0.86 PARP1 (0.63) PARP1TSHRPKN1PKN2DHODH
SCHEMBL12673126 0.85 PARP1 (0.68) PARP1PKN1PKN2DHODHRXFP1
SCHEMBL12673377 0.84 PARP1 (0.67) PARP1PKN1PKN2PARP2DYRK1A
SCHEMBL12673104 0.84 PARP1 (0.61) PARP1ALOX15TSHRNPSR1HSD17B10
SCHEMBL12673384 0.84 PARP1 (0.63) PARP1PKN1PKN2DHODHSIRT2
SCHEMBL12673092 0.83 PARP1 (0.66) PARP1PKN1PKN2DHODHRXFP1

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 287/4885ALOX15 1838/4885TSHR 2427/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885ALOX15 2504/4885TSHR 2552/4885

“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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