SCHEMBL109874

SCHEMBL109874

Brc1nnc2n1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
P2RX7 Q99572 3/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
Hydrochloric Acid SCHEMBL9932011 0.98 MGLL (0.32) MGLLP2RX7GSK3BDYRK1A
SCHEMBL24656037 0.75 GSK3B (0.32) MGLLGSK3BDYRK1AHTR2AHTR2C
SCHEMBL929279 0.75 POLB (0.47) MGLLGSK3BDYRK1AHTR2AHTR2C
SCHEMBL17611615 0.75 MGLL (0.33) MGLLGSK3BDYRK1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL15385166 0.73 POLB (0.46) MGLLGSK3BDYRK1AHTR2AHTR2C
SCHEMBL17686033 0.71 MEN1 (0.36) P2RX7
SCHEMBL13093275 0.71 MGLL (0.33) MGLLP2RX7
SCHEMBL5935866 0.71 MGLL (0.43) MGLLGSK3BDYRK1A
SCHEMBL1968804 0.71 MGLL (0.31) MGLLGSK3BDYRK1A
SCHEMBL212149 0.71 MGLL (0.36) MGLLGSK3BDYRK1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai SIMR Biotechnology Co., Ltd (CN) 2025-07-03 US disclosed
WO-2025044946-A1 COMPOUND ACTING AS MRGPRX2 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504738-A Compounds as MRGPRX2 antagonists, methods of preparation and use thereof 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed
EP-4506348-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simrd Biotechnology Co., Ltd (CN) 2025-02-12 EP disclosed
CN-112041319-B Triazole, imidazole and pyrrole fused piperazine derivatives and their use as mGlu5Use of modulators of receptors 利康化学与制药工业有限公司 2024-05-14 CN disclosed
CN-116854680-A Isoxazole-heterocycle derivatives, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-10-10 CN disclosed
WO-2023185704-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-10-05 WO disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230062486-A1 KRAS G12C INHIBITOR AND PHARMACEUTICAL USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-03-02 US disclosed
US-11591337-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as modulators of mGlu5 receptors RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2023-02-28 US disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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-20230062486-A1 KRAS G12C INHIBITOR AND PHARMACEUTICAL USE THEREOF KRAS, NRAS, HRAS MGLL 2907/4885P2RX7 3986/4885GSK3B 1240/4885
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE GABRA5, GABRA1, CYP3A5 MGLL 4805/4885P2RX7 81/4885GSK3B 279/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK MGLL 2558/4885P2RX7 3549/4885GSK3B 3639/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL MGLL 2969/4885P2RX7 2037/4885GSK3B 1706/4885
US-11591337-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as modulators of mGlu5 receptors GRM5, GRIK5, GRM1 MGLL 2368/4885P2RX7 312/4885GSK3B 2444/4885

“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.