SCHEMBL12661950

SCHEMBL12661950

O=C(Nc1cccc2[nH]c(-c3cccc(N4CCOCC4)c3)nc12)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ ATR Q13535 1/20 0.42
▸ PARP1 P09874 3/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ DGAT1 O75907 2/20 0.40
▸ INSR P06213 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL12661889 0.89 SCN9A (0.48) IRAK4ATRPARP1KITF10
SCHEMBL12661945 0.86 POLB (0.55) IRAK4ATRPARP1KITF10
SCHEMBL1036133 0.83 ATR (0.45) IRAK4PIM1ATRPRKDCF10
SCHEMBL1895860 0.79 PARP1 (0.54) PARP1MEN1KMT2AALDH1A1TSHR
SCHEMBL12220001 0.76 CYP1A1 (0.54) IRAK4PIM1ATRPRKDCF10
SCHEMBL12661951 0.76 PIM1 (0.42) PIM1PARP1KMT2AMAPK10
SCHEMBL12673371 0.75 LMNA (0.51) PIM1ATRPARP1KITMEN1
SCHEMBL1034021 0.74 PIM1 (0.54) IRAK4PIM1PRKDCF10NTRK2
SCHEMBL12673383 0.74 PARP1 (0.49) PIM1ATRPARP1KITF10
SCHEMBL12673321 0.74 PARP1 (0.50) PIM1ATRPARP1KITMEN1

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 IRAK4 1198/4885PIM1 2069/4885ATR 1379/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 IRAK4 1253/4885PIM1 1811/4885ATR 1508/4885

“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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