SCHEMBL2657717

SCHEMBL2657717

O=C1N=Cc2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CDC25B P30305 1/20 0.41
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
CYP3A4 P08684 3/20 0.37
CASP1 P29466 3/20 0.37
BLM P54132 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP7 P55210 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL23645371 0.98 MAOA (0.41) MAOAMAOBCDC25BMAPTTP53
Hydrochloric Acid SCHEMBL7086045 0.98 MAOA (0.41) MAOAMAOBCDC25BMAPTTP53
Octane SCHEMBL5764314 0.85 KDM4E (0.38) CYP3A4KDM4EKDM4CGSK3B
SCHEMBL30227719 0.83 MAOA (0.42) MAOAMAOBCDC25BMAPTTP53
SCHEMBL8710677 0.83 MAOA (0.42) MAOAMAOBCDC25BMAPTTP53
SCHEMBL3358801 0.71 MAOA (0.39) MAOAMAOBCDC25BMAPTTP53
SCHEMBL113314 0.70 GSK3B (0.40) MAOAMAOBCDC25BMAPTTP53
SCHEMBL29394879 0.70 GSK3B (0.40) MAOAMAOBCDC25BMAPTTP53
SCHEMBL17164024 0.69 MAOA (0.38) MAOAMAOBCDC25BMAPTTP53
Hydrochloric Acid SCHEMBL20475155 0.68 GSK3B (0.39) MAOAMAOBCDC25BMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US claimed
EP-3551627-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM H. Hoffnabb-La Roche Ag (CH) 2019-10-16 EP claimed
WO-2018104419-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2018-06-14 WO claimed
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP claimed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO claimed
US-20260085045-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2026-03-26 US disclosed
EP-4561563-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-20150274723-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
US-20150259359-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-09-17 US disclosed
US-9056873-B2 Substituted 6-aza-isoindolin-1-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-16 US disclosed
US-9056873-B2 Substituted 6-aza-isoindolin-1-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-16 US disclosed
US-20140206680-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-24 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO disclosed
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 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 (8 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-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 MAOA 1498/4885MAOB 1570/4885CDC25B 4608/4885
US-20150274723-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK MAOA 998/4885MAOB 1736/4885CDC25B 585/4885
US-20150259359-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY PC, BAD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOA 1102/4885MAOB 489/4885CDC25B 820/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR MAOA 2614/4885MAOB 2265/4885CDC25B 3172/4885
US-20140206680-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK MAOA 998/4885MAOB 1736/4885CDC25B 585/4885
US-20260085045-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NPR1, CBR1, NAT1 MAOA 341/4885MAOB 460/4885CDC25B 3112/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR MAOA 2614/4885MAOB 2265/4885CDC25B 3172/4885
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 MAOA 1498/4885MAOB 1570/4885CDC25B 4608/4885

“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.