SCHEMBL10240068

SCHEMBL10240068

Nc1ccc(CN2CCCCC2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
HRH3 Q9Y5N1 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
HRH4 Q9H3N8 1/20 0.57
KDM4E B2RXH2 1/20 0.55
PRMT6 Q96LA8 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL28366319 0.98 ALDH1A1 (0.60) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL16054572 0.84 L3MBTL3 (0.58) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL6733401 0.84 ALDH1A1 (0.58) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL5722022 0.84 ALDH1A1 (0.58) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL12239191 0.84 ALDH1A1 (0.72) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL28743480 0.84 ALDH1A1 (0.58) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL6735828 0.84 POLB (0.72) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL5519966 0.81 ALDH1A1 (0.69) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL9612032 0.81 POLB (0.69) ALDH1A1HRH3SMN1; SMN2POLBHTT
SCHEMBL16054965 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBKDM4ETDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008348-B Pyrazolylbenzo [ D ] imidazole derivatives 赛隆制药股份公司 2018-07-10 CN disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
CN-101857589-B Pyrazol-benzimidazoles derivative and application thereof UNIV SOUTHEAST 2013-12-18 CN disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 US disclosed
CN-101857589-A Pyrazol-benzimidazoles derivative and application thereof UNIV SOUTHEAST 2010-10-13 CN disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US 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 (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET ALDH1A1 3042/4885HRH3 687/4885SMN1; SMN2 3461/4885
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES NR0B2, NR2C2, NR4A3 ALDH1A1 2014/4885HRH3 246/4885SMN1; SMN2 3327/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA ALDH1A1 3717/4885HRH3 2160/4885SMN1; SMN2 2569/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA ALDH1A1 3717/4885HRH3 2160/4885SMN1; SMN2 2569/4885

“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.