SCHEMBL556764

SCHEMBL556764

OCc1cccc2[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DPP4 P27487 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRNP P04156 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 2/20 0.40
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
PKM P14618 2/20 0.39

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
SCHEMBL29907256 0.87 PARP1 (0.47) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL7856462 0.87 PARP1 (0.47) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL23124283 0.84 PARP1 (0.45) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL1647056 0.82 PARP1 (0.46) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL3823364 0.82 PARP1 (0.46) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL20138342 0.82 PARP1 (0.46) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL7576839 0.82 PARP1 (0.50) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL763087 0.82 PARP1 (0.50) PARP1ADORA2AADORA1HTR2AHTR2C
Hydrochloric Acid SCHEMBL9664729 0.81 PARP1 (0.45) PARP1ADORA2AADORA1DPP4HTR2A
SCHEMBL2500037 0.80 PARP1 (0.53) PARP1ADORA2AADORA1DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 US disclosed
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-05-30 US disclosed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 EP disclosed
CN-117242047-A Process for the vapor phase hydrogenation of aldehydes 陶氏技术投资有限责任公司 2023-12-15 CN disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 EP disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 EP disclosed
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 US disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 EP disclosed
EP-1352910-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2003-10-15 EP disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
WO-2003014116-A1 PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
EP-0873292-B1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2001-12-19 EP disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 WO disclosed
EP-0873292-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-10-28 EP disclosed
US-5731472-A HETEROCYCLIC NITROGEN COMPOUNDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-03-24 US disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP PARP1 135/4885ADORA2A 2283/4885ADORA1 1659/4885
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 PARP1 295/4885ADORA2A 583/4885ADORA1 734/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 PARP1 298/4885ADORA2A 543/4885ADORA1 651/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 PARP1 298/4885ADORA2A 543/4885ADORA1 651/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 PARP1 2414/4885ADORA2A 4014/4885ADORA1 4088/4885

“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.