Sugi Predict

Sugi Predict / Compounds / SCHEMBL4572822

SCHEMBL4572822

SCHEMBL4572822

Nc1cccc(C(=O)NCCN2CCOCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CD274 Q9NZQ7 4/20 0.67
▸ EPHX2 P34913 3/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ POLB P06746 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.61
▸ HTR1A P08908 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ ERN1 O75460 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.58
▸ MAP4K4 O95819 1/20 0.58

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
Hydrochloric Acid SCHEMBL7398448 0.99 CYP2C19 (0.67) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL22823029 0.93 SMN1; SMN2 (0.70) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL4572856 0.88 CYP2C9 (0.57) CYP2C19CYP2C9EPHX2CYP1A2CYP2D6
SCHEMBL2720343 0.87 CYP2C19 (0.69) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL17554135 0.87 BCL3 (0.71) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL14048045 0.87 CYP1A2 (0.59) CYP2C9EPHX2CYP1A2CYP2D6POLB
SCHEMBL9312796 0.86 CYP2C19 (0.70) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL9312802 0.86 CYP2C19 (0.71) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL5103023 0.85 CYP2C19 (0.66) CYP2C19CYP2C9CD274EPHX2CYP1A2
SCHEMBL18845433 0.85 CYP2C19 (0.78) CYP2C19CYP2C9CD274CYP1A2CYP2D6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045031-A1 Diarylamide Compound and Application Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-02-09 — — US disclosed
WO-2020253802-A1 DIARYLAMIDE COMPOUND AND APPLICATION THEREOF 北京大学 2020-12-24 — — WO disclosed
CN-104829542-B Aniline pyrimidine class compound, its preparation method and medical usage 中国科学院上海药物研究所 2018-02-02 — — CN disclosed
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 — — US disclosed
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-08-24 — — US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 — — EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 — — US disclosed
CN-104829542-A Aniline pyrimidine compound, preparation method and medicinal application thereof SHANGHAI INST MATERIA MEDICA 2015-08-12 — — CN disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 — — US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 — — EP disclosed
US-8940936-B2 Aryloxy phenoxy acrylic compound having HIF-1 inhibition activity, method for preparing same, and pharmaceutical composition containing same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2015-01-27 — — US disclosed
WO-2014033446-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 — — WO disclosed
US-20130237542-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-09-12 — — US disclosed
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 — — US disclosed
WO-2008055013-A2 5-OXO-5,8 - DIHYDRO - PYRIDO - PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 — — 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 (6 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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK CYP2C19 806/4885CYP2C9 501/4885CD274 1264/4885
US-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN CYP2C19 2412/4885CYP2C9 2486/4885CD274 2855/4885
US-20130237542-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT HIF1A, HIF1AN, VHL CYP2C19 1806/4885CYP2C9 1542/4885CD274 2949/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK CYP2C19 2493/4885CYP2C9 2511/4885CD274 2896/4885
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT HIF1A, HIF1AN, VHL CYP2C19 1806/4885CYP2C9 1542/4885CD274 2949/4885
US-20230045031-A1 Diarylamide Compound and Application Thereof SLC14A1, SLC28A1, SLC28A2 CYP2C19 1286/4885CYP2C9 799/4885CD274 4851/4885

“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.