Sugi Predict

Sugi Predict / Compounds / SCHEMBL3387772

SCHEMBL3387772

SCHEMBL3387772

O=c1ccc2c([nH]1)CN(Cc1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.58
▸ PNMT P11086 1/20 0.51
▸ ACHE P22303 4/20 0.49
▸ KDR P35968 1/20 0.46
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ CLPP Q16740 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
SCHEMBL1015636 0.89 SLC6A5 (0.54) SLC6A5PNMTACHEADRA2AADRA2B
SCHEMBL5902037 0.79 PNMT (0.45) PNMTDRD4PRMT5WDR77
SCHEMBL28702580 0.78 SLC6A5 (0.52) SLC6A5PNMTACHEKDRGAA
SCHEMBL22481965 0.78 PNMT (0.51) SLC6A5PNMTACHEADRA2AADRA2B
SCHEMBL13896984 0.77 ACHE (0.52) SLC6A5PNMTACHEADRA2AADRA2B
SCHEMBL10852421 0.76 SLC6A5 (0.50) SLC6A5PNMTACHEADRA2AADRA2B
SCHEMBL30474223 0.76 SLC6A5 (0.63) SLC6A5ACHEDRD4GAACLPP
SCHEMBL4144313 0.73 SLC6A5 (1.00) SLC6A5ACHEKDRGAACLPP
SCHEMBL17984233 0.73 ACHE (0.60) SLC6A5ACHEDRD4GABRA1GABRA2
SCHEMBL31134754 0.73 ACHE (0.66) PNMTACHEADRA2AADRA2BDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 — — EP disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 — — CN disclosed
US-20220267349-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-25 — — US disclosed
EP-4034239-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 — — EP disclosed
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 — — CN disclosed
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 — — CN disclosed
US-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 — — US disclosed
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2021-10-14 — — US disclosed
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs RECURIUM IP HOLDINGS, LLC (US) 2021-09-21 — — US disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 — — US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 — — US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 — — US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 — — US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 — — US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 — — US disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 — — US disclosed
EP-1756104-B1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LTD (GB) 2010-12-15 — — EP disclosed
US-20090258861-A1 Tetrahydronaphthyridine Derivatives LUNN GRAHAM 2009-10-15 — — US disclosed
US-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 — — US disclosed
US-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 — — 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 (10 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A SLC6A5 3209/4885PNMT 750/4885ACHE 176/4885
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 SLC6A5 1842/4885PNMT 460/4885ACHE 369/4885
US-20050256135-A1 Tetrahydronaphthyridine derivatives HRH4, HRH3, HRH1 SLC6A5 2934/4885PNMT 73/4885ACHE 1864/4885
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HCCS, HAVCR2, ZC3HAV1 SLC6A5 3607/4885PNMT 847/4885ACHE 3457/4885
US-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 SLC6A5 3576/4885PNMT 3018/4885ACHE 4618/4885
US-20090258861-A1 Tetrahydronaphthyridine Derivatives HRH4, HRH3, HRH1 SLC6A5 2934/4885PNMT 73/4885ACHE 1864/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 SLC6A5 4645/4885PNMT 4734/4885ACHE 4843/4885
US-20220267349-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY SLC6A5 4102/4885PNMT 1663/4885ACHE 1173/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 SLC6A5 4285/4885PNMT 4761/4885ACHE 4846/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A SLC6A5 3209/4885PNMT 750/4885ACHE 176/4885

“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.