SCHEMBL12438641

SCHEMBL12438641

Cc1nc2ccc3nc[nH]c3c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.36
MAP3K5 Q99683 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GDA Q9Y2T3 1/20 0.34
TYMS P04818 2/20 0.33
MMP12 P39900 1/20 0.33
PNP P00491 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL13383928 0.83 ALDH1A1 (0.48) POLBALDH1A1PARP1ADORA3TNKS2
SCHEMBL1374558 0.78 PRKCI (0.44) ALDH1A1PARP1TNKS2TDP1MMP12
SCHEMBL12438833 0.77 PARP1 (0.41) POLBALDH1A1PARP1ADORA3HSP90AA1
SCHEMBL14648532 0.73 ALDH1A1 (0.38) ALDH1A1PARP1ADORA3TNKS2HSP90AA1
SCHEMBL13383924 0.71 TYMS (0.44) ALDH1A1PARP1ADORA3TNKS2HSP90AA1
SCHEMBL29503821 0.69 PARP1 (0.39) ALDH1A1PARP1MMP12MAPTHSD17B10
SCHEMBL3156088 0.69 PARP1 (0.39) ALDH1A1PARP1MMP12MAPTHSD17B10
SCHEMBL353027 0.69 ALDH1A1 (0.41) POLBALDH1A1PARP1ADORA3TNKS2
SCHEMBL15045615 0.69 ALDH1A1 (0.42) POLBALDH1A1PARP1ADORA3TNKS2
SCHEMBL11204397 0.69 MAPT (0.44) PARP1ADORA3ADORA1MAP3K5GDA

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 POLB 1240/4885ALDH1A1 346/4885PARP1 1226/4885

“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.