SCHEMBL3629976

SCHEMBL3629976

COc1ccc2[nH]cc(N)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.65
GPR84 Q9NQS5 2/20 0.64
HTR2A P28223 6/20 0.61
HTR2C P28335 5/20 0.61
CYP1A2 P05177 3/20 0.61
HTR1A P08908 3/20 0.61
MAPT P10636 3/20 0.61
TSHR P16473 2/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
HTR7 P34969 2/20 0.61
HTR6 P50406 2/20 0.61
HTR4 Q13639 2/20 0.61
NFKB1 P19838 1/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL27690773 0.87 HTR2A (0.59) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL5432612 0.82 GPR84 (0.66) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL25553512 0.81 MAPT (0.48) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL13302377 0.81 MAP3K14 (0.59) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL28337310 0.81 GPR84 (0.64) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL434877 0.81 GPR84 (0.64) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL736956 0.81 GPR84 (0.64) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL17452855 0.79 GPR84 (0.62) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL21623872 0.79 GPR84 (0.62) HTR2BGPR84HTR2AHTR2CCYP1A2
SCHEMBL21256024 0.79 GPR84 (0.62) HTR2BGPR84HTR2AHTR2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
CN-119654323-A External nucleotide pyrophosphatase-phosphodiesterase-1 inhibitor and pharmaceutical composition containing the same 瑞嘉化学生物科学股份有限公司 2025-03-18 CN disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2023137034-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-07-20 WO disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed
CN-112806376-B Application of 5-methoxyindole or molecular structure analogue thereof in inhibiting phytopathogen 南京农业大学 2022-02-15 CN disclosed
CN-112806376-A Application of 5-methoxyindole or molecular structure analogue thereof in inhibiting phytopathogen 南京农业大学 2021-05-18 CN disclosed
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
WO-2017163263-A1 INDOLE DERIVATIVES, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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 (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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 HTR2B 3561/4885GPR84 3820/4885HTR2A 2736/4885
US-20190135809-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2B 537/4885GPR84 2035/4885HTR2A 792/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR2B 3364/4885GPR84 634/4885HTR2A 1988/4885
US-20170305906-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2B 537/4885GPR84 2035/4885HTR2A 792/4885
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR2B 3364/4885GPR84 634/4885HTR2A 1988/4885

“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.