SCHEMBL12438833

SCHEMBL12438833

Cc1nc2c(ccc3nc[nH]c32)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTT P42858 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP12 P39900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCI P41743 2/20 0.33
DHODH Q02127 2/20 0.33
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL12438641 0.77 POLB (0.38) PARP1ALDH1A1POLBADORA3HSP90AA1
SCHEMBL13594653 0.74 ADRB2 (0.52) PARP1ADRB2ALDH1A1SMN1; SMN2ADORA3
SCHEMBL15834705 0.74 LMNA (0.44) PARP1ALDH1A1POLBTDP1MMP12
SCHEMBL11204397 0.73 MAPT (0.44) PARP1ADORA3MMP12MAPTPRKCI
SCHEMBL14648514 0.71 ADRB2 (0.41) PARP1ADRB2ALDH1A1ADORA3HTT
SCHEMBL30945080 0.70 ADRA2A (0.41) ALDH1A1POLBMMP12MAPTHSD17B10
SCHEMBL38687 0.70 ADRA2A (0.41) ALDH1A1POLBMMP12MAPTHSD17B10
SCHEMBL1374558 0.70 PRKCI (0.44) PARP1ALDH1A1SMN1; SMN2TDP1MMP12
SCHEMBL11203532 0.69 MAPT (0.44) PARP1ADRB2ALDH1A1POLBSMN1; SMN2
SCHEMBL23486023 0.69 ADRB2 (0.39) PARP1ADRB2ALDH1A1POLBSMN1; SMN2

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
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
WO-2011095057-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-11 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 (1 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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 PARP1 1226/4885ADRB2 747/4885ALDH1A1 346/4885

“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.