Sugi Predict

Sugi Predict / Compounds / SCHEMBL546487

SCHEMBL546487

SCHEMBL546487

Nc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.59
▸ NCF1 P14598 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KCNJ1 P48048 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NOS1 P29475 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NOS3 P29474 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ CA2 P00918 1/20 0.47

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
SCHEMBL30059176 1.00 HRH3 (0.59) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL548075 0.98 HRH3 (0.58) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16054673 0.95 HRH3 (0.54) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16054714 0.87 HRH3 (0.72) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6770411 0.85 HRH3 (0.54) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18491483 0.85 HRH3 (0.54) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL27087826 0.85 HRH3 (0.59) HRH3NCF1SMN1; SMN2NPC1TP53
SCHEMBL4974297 0.85 HTT (0.55) HRH3NCF1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4779922 0.85 HRH3 (0.54) HRH3NCF1SMN1; SMN2ALDH1A1HTT
SCHEMBL27985405 0.85 HRH3 (0.54) HRH3NCF1SMN1; SMN2ALDH1A1MAPT

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 102 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
EP-4293019-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS Netherlands Translational Research Center Holding B.V. (NL) 2023-12-20 — — EP disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 — — CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 — — CN disclosed
CN-104211692-B Derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-05-24 — — CN disclosed
CN-104447701-B Pyrazole derivatives and application thereof 广东东阳光药业有限公司 2019-03-22 — — CN disclosed
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
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 — — WO 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-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 — — US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 — — US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES 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
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — 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-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 HRH3 4646/4885NCF1 3357/4885SMN1; SMN2 4105/4885

“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.