SCHEMBL29501245

SCHEMBL29501245

CCOc1ncc(Cn2cncn2)cc1-c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.58
STS P08842 3/20 0.41
KDR P35968 2/20 0.38
TEK Q02763 2/20 0.38
PDE4B Q07343 1/20 0.37
CA2 P00918 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL16114228 1.00 CYP19A1 (0.58) CYP19A1STSKDRTEKPDE4B
SCHEMBL16044173 0.91 CYP19A1 (0.58) CYP19A1STSKDRTEKPDE4B
SCHEMBL16044339 0.89 CYP19A1 (0.55) CYP19A1STSKDRTEKPDE4B
SCHEMBL29501207 0.87 CYP19A1 (0.45) CYP19A1STSPDE4B
SCHEMBL16044180 0.86 CYP19A1 (0.55) CYP19A1STSKDRTEKPDE4B
SCHEMBL29501214 0.86 PDE4B (0.48) CYP19A1KDRTEKPDE4BCA2
SCHEMBL16046874 0.86 PDE4B (0.48) CYP19A1KDRTEKPDE4BCA2
SCHEMBL16075854 0.84 CYP19A1 (0.40) CYP19A1KDRTEKPDE4BEPHB4
SCHEMBL16075840 0.83 HDAC1 (0.41) CYP19A1KDRTEKPDE4BEPHB4
SCHEMBL16075839 0.83 HDAC1 (0.41) CYP19A1KDRTEKPDE4BEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 US disclosed
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-03-09 US disclosed
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC (US) 2022-03-22 US 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 (3 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-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D CYP19A1 2066/4885STS 4308/4885KDR 840/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D CYP19A1 2066/4885STS 4308/4885KDR 840/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D CYP19A1 2107/4885STS 4307/4885KDR 820/4885

“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.