SCHEMBL2596436

SCHEMBL2596436

Brc1ccc2c(n1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM5 P41594 2/20 0.38
ADRA2A P08913 5/20 0.36
ADRA2C P18825 5/20 0.36
ADRA1D P25100 5/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
ADRA2B P18089 4/20 0.36
FABP6 P51161 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
PRKCI P41743 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
SCHEMBL29659230 1.00 MAPT (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL1814471 0.89 JAK2 (0.37) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL30454411 0.89 JAK2 (0.37) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL13212813 0.81 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL23860863 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL2492111 0.78 GAA (0.47) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL4716840 0.78 MAPT (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL29364018 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL6107503 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5
SCHEMBL4716839 0.78 ALDH1A1 (0.40) MAPTALDH1A1GAAHSD17B10GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
US-20260035362-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC (CN) 2026-02-05 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
US-12365670-B2 GLP-IR agonists and uses thereof QILU REGOR THERAPEUTICS INC. (CN) 2025-07-22 US disclosed
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer ARTIOS PHARMA LIMITED (GB) 2025-07-15 US disclosed
WO-2024130166-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-06-20 WO disclosed
WO-2024083086-A1 BICYCLIC DERIVATIVE INTEGRIN INHIBITOR 上海如凌生物医药有限公司 2024-04-25 WO disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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 (7 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-20260035362-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, IAPP MAPT 3164/4885ALDH1A1 2072/4885GAA 3242/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B MAPT 2378/4885ALDH1A1 1037/4885GAA 2204/4885
US-12365670-B2 GLP-IR agonists and uses thereof GLP1R, GPR119, GIPR MAPT 3823/4885ALDH1A1 908/4885GAA 1790/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A MAPT 1289/4885ALDH1A1 915/4885GAA 3709/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 MAPT 4245/4885ALDH1A1 632/4885GAA 4369/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A MAPT 1289/4885ALDH1A1 915/4885GAA 3709/4885
US-12358886-B2 Heterocyclic compounds for use in the treatment of cancer SDHA, DPYD, TP53 MAPT 4249/4885ALDH1A1 232/4885GAA 921/4885

“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.