SCHEMBL12440355

SCHEMBL12440355

Cc1nc2ccc3c(c2[nH]1)NCN3

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TYMS P04818 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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 0.74 ALDH1A1 (0.48) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL14648534 0.71 ALDH1A1 (0.34) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL12438634 0.71 NOTUM (0.40) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL13383924 0.67 TYMS (0.44) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL353027 0.66 ALDH1A1 (0.41) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL18576288 0.64 MAOA (0.42) ALDH1A1PARP1TNKS2ADORA3CDC7
SCHEMBL10146529 0.63 MAPT (0.52) ALDH1A1HSP90AA1PARP1TNKS2TYMS
SCHEMBL11203526 0.63 MAPT (0.46) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL22011133 0.63 CSNK2A1 (0.39) ALDH1A1HSP90AA1ESR2TDP1PARP1
SCHEMBL6142611 0.63 ALDH1A1 (0.40) ALDH1A1HSP90AA1ESR2TDP1PARP1

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 ALDH1A1 346/4885HSP90AA1 1788/4885ESR2 4688/4885

“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.