Sugi Predict

Sugi Predict / Compounds / SCHEMBL220828

SCHEMBL220828

SCHEMBL220828

c1cnc2c(c1)[N]CCC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TBXAS1 P24557 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL2120995 0.87 — —
SCHEMBL7074142 0.73 — —
SCHEMBL4769982 0.68 CYP19A1 (0.33) CYP19A1PDE3BPDE3ATBXAS1
SCHEMBL337489 0.68 DRD2 (0.36) CYP19A1ACHETBXAS1ALDH1A1CYP1A2
SCHEMBL29405362 0.67 TSHR (0.48) CYP19A1ACHE
SCHEMBL5604 0.67 TSHR (0.48) ACHEALDH1A1MEN1KMT2A
SCHEMBL29395766 0.67 — —
SCHEMBL149347 0.67 — —
SCHEMBL26989 0.67 TSHR (0.48) CYP19A1ACHE
SCHEMBL222424 0.67 TSHR (0.42) ACHEALDH1A1CYP1A2THRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140931-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-05-02 — — US claimed
CN-116940573-A Tricyclic compounds and uses thereof 和记黄埔医药（上海）有限公司 2023-10-24 — — CN claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP claimed
WO-2023138674-A1 N-HYDROXYQUINOLINE CARBOXAMIDE COMPOUND AND USE THEREOF 默达药物（香港）有限公司 2023-07-27 — — WO claimed
WO-2023138675-A1 QUINOLINE COMPOUND AND USE THEREOF 默达药物（香港）有限公司 2023-07-27 — — WO claimed
CN-116478129-A Quinoline compound and use thereof 深圳默元生物科技有限公司 2023-07-25 — — CN claimed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 — — US claimed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP claimed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 — — US claimed
US-11529348-B2 — — 2022-12-20 — — US claimed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 — — US claimed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US claimed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO claimed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US claimed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 — — EP claimed
EP-1058680-B1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 — — EP claimed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — US claimed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 — — WO claimed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 CYP19A1 64/4885ACHE 2857/4885PDE3B 295/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C CYP19A1 2042/4885ACHE 4760/4885PDE3B 1837/4885
US-11529348-B2 — PTPRCAP, PTPN2, PTPN6 CYP19A1 4863/4885ACHE 4884/4885PDE3B 3894/4885
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL CYP19A1 671/4885ACHE 3321/4885PDE3B 747/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 CYP19A1 2287/4885ACHE 4785/4885PDE3B 726/4885
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN7 CYP19A1 4711/4885ACHE 4881/4885PDE3B 2456/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL CYP19A1 671/4885ACHE 3321/4885PDE3B 747/4885
US-20240140931-A1 TRICYCLIC COMPOUNDS AND USES THEREOF CYP2C19, CYP3A7, CYP11B2 CYP19A1 32/4885ACHE 169/4885PDE3B 144/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 CYP19A1 64/4885ACHE 2857/4885PDE3B 295/4885

“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.