SCHEMBL640864

SCHEMBL640864

N/C(=N\O)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
TSHR P16473 1/20 0.57
MC4R P32245 1/20 0.57
ADRA1A P35348 1/20 0.57
MC3R P41968 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.48
NAPRT Q6XQN6 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HSP90AA1 P07900 1/20 0.44
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.34

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
SCHEMBL640865 1.00 BAZ2B (0.57) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL6449733 0.83 BAZ2B (0.57) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL24170740 0.81 BAZ2B (0.55) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL22281919 0.78 SMN1; SMN2 (0.56) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL4468769 0.76 SMN1; SMN2 (0.54) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL4468773 0.76 SMN1; SMN2 (0.54) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL29775332 0.76 KDM4E (0.56) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL14434128 0.74 KDM4E (0.53) BAZ2BADORA3TSHRMC4RADRA1A
Pyrazinamide SCHEMBL28605056 0.74 ADORA3 (0.91) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL6748574 0.74 KDM4E (0.53) BAZ2BADORA3TSHRMC4RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041727-B1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS INC (US) 2026-05-20 EP disclosed
EP-4363415-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2025-12-10 EP disclosed
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2024-08-22 US disclosed
EP-4363415-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Tecnimede, Sociedade Técnico-Medicinal, SA (PT) 2024-05-08 EP disclosed
WO-2023141114-A2 SYNTHESIS OF BORON-CONTAINING AMIDOXIME REAGENTS AND THEIR APPLICATION TO SYNTHESIZE FUNCTIONALIZED OXADIAZOLE AND QUINAZOLINONE DERIVATIVES LONG ISLAND UNIVERSITY (US) 2023-07-27 WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 WO disclosed
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2022-12-08 US disclosed
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2022-12-08 US disclosed
EP-4041727-A1 ATF6 MODULATORS AND USES THEREOF Praxis Biotech LLC (US) 2022-08-17 EP disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 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 (6 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D BAZ2B 1130/4885ADORA3 469/4885TSHR 1947/4885
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 BAZ2B 85/4885ADORA3 252/4885TSHR 63/4885
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis SDHA, NQO1, FNTB BAZ2B 1440/4885ADORA3 3314/4885TSHR 1713/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 BAZ2B 319/4885ADORA3 858/4885TSHR 3518/4885
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 BAZ2B 823/4885ADORA3 4677/4885TSHR 3507/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 BAZ2B 590/4885ADORA3 87/4885TSHR 446/4885

“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.