Sugi Predict

Sugi Predict / Compounds / SCHEMBL546101

SCHEMBL546101

SCHEMBL546101

c1ccc2[nH]c(-n3cccn3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.51
▸ BCHE P06276 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ HTR3A P46098 1/20 0.49
▸ TP53 P04637 3/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ AURKA O14965 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TRPC3 Q13507 1/20 0.45
▸ ALKBH3 Q96Q83 3/20 0.43
▸ MEN1 O00255 3/20 0.43

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
SCHEMBL1192403 0.82 EGLN1 (0.54) EGLN1RAB9AMAPTKDM4ENPC1
SCHEMBL30450037 0.82 EGLN1 (0.54) EGLN1RAB9AMAPTKDM4ENPC1
SCHEMBL1192166 0.80 MAPK1 (0.43) EGLN1RAB9AMAPTKDM4ENPC1
SCHEMBL1192961 0.80 NOTUM (0.46) EGLN1TP53RAB9AMAPTAURKA
SCHEMBL1193267 0.80 EGLN1 (0.42) EGLN1MAPTAURKAKDM4ENPC1
SCHEMBL18062670 0.80 MAPKAPK2 (0.39) EGLN1TP53RAB9AMAPTKDM4E
SCHEMBL7018102 0.79 BCHE (0.50) EGLN1BCHEACHEHTR3ATP53
SCHEMBL3389271 0.78 BCHE (0.56) BCHEACHEHTR3ATP53RAB9A
SCHEMBL3030437 0.78 HTR3A (0.52) EGLN1HTR3ARAB9AMAPTKDM4E
SCHEMBL9554794 0.77 BCHE (0.54) EGLN1BCHEACHEHTR3ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242228-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS UNIVERSITEIT LEIDEN (NL) 2023-12-21 — — WO disclosed
WO-2016202758-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
WO-2016202758-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
WO-2016202756-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
WO-2016202756-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-1H-BENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP 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
US-8759345-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 — — US disclosed
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 — — EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 — — US disclosed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 — — EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 — — WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 — — US disclosed
US-20070048546-A1 Organic phosphorescent light emitting device EASTMAN KODAK COMPANY 2007-03-01 — — US disclosed
US-20070048546-A1 Organic phosphorescent light emitting device EASTMAN KODAK COMPANY 2007-03-01 — — US disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 — — EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO disclosed
US-4027032-A Combating heminthosporium fungi with 2-[3',5'-dimethylpyrazolyl-(1')]-benzimidazole BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — 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 (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-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 EGLN1 1888/4885BCHE 2386/4885ACHE 3724/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 EGLN1 1835/4885BCHE 2950/4885ACHE 3364/4885

“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.