Sugi Predict

Sugi Predict / Compounds / SCHEMBL336221

SCHEMBL336221

SCHEMBL336221

CCOC(=O)c1cncc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ HCAR2 Q8TDS4 1/20 0.55
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA14 Q9ULX7 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44

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
Piperazine SCHEMBL27480861 0.91 CYP2C19 (0.57) CYP2C19CYP2C9HCAR2CA12CA1
SCHEMBL277284 0.87 CYP2C19 (0.86) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL18132205 0.86 HCAR2 (0.58) CYP2C19CYP2C9HCAR2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL9679507 0.85 CYP2C19 (0.83) CYP2C19CYP2C9CA12CA1CA2
Hydrochloric Acid SCHEMBL3334480 0.83 CYP2C19 (0.73) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL6979199 0.82 CYP2C19 (0.72) CYP2C19CYP2C9HCAR2CA12CA1
SCHEMBL158686 0.81 CYP2C19 (0.70) CYP2C19CYP2C9HCAR2ATMSMN1; SMN2
SCHEMBL12629121 0.81 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL2112657 0.81 CYP2C19 (1.00) CYP2C19CYP2C9HCAR2CA12CA1
SCHEMBL1812268 0.81 CYP2C9 (0.70) CYP2C19CYP2C9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 — — CN disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 — — EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 — — CN disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 — — WO disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 — — EP disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 — — US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 — — US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 — — US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 — — EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 — — US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 — — WO disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 — — EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 — — US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 — — US disclosed
EP-0175325-B1 NEW 8-SUBSTITUTED NUCLEOSIDE AND PURINE DERIVATIVES, THE PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pierrel S.p.A. (IT) 1989-03-15 — — EP disclosed
US-4774325-A ANTILIPEMIC AGENTS PIERREL SPA (IT) 1988-09-27 — — US disclosed
EP-0175325-A2 New 8-substituted nucleoside and purine derivatives, the process for the preparation thereof and the pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1986-03-26 — — EP 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 (5 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CYP2C19 867/4885CYP2C9 1113/4885HCAR2 1496/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 CYP2C19 867/4885CYP2C9 1113/4885HCAR2 1496/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 CYP2C19 2370/4885CYP2C9 1780/4885HCAR2 435/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP2C19 3558/4885CYP2C9 3902/4885HCAR2 127/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 CYP2C19 269/4885CYP2C9 321/4885HCAR2 68/4885

“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.