SCHEMBL29501246

SCHEMBL29501246

CCOc1ncc(Cn2cncn2)cc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.48
PIK3CA P42336 3/20 0.46
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
STS P08842 1/20 0.39
NAMPT P43490 1/20 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
SCHEMBL29501207 0.88 CYP19A1 (0.45) CYP19A1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL29501215 0.83 CYP19A1 (0.45) CYP19A1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL16113024 0.83 CYP19A1 (0.45) CYP19A1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL29501245 0.81 CYP19A1 (0.58) CYP19A1STS
SCHEMBL16114228 0.81 CYP19A1 (0.58) CYP19A1STS
SCHEMBL16046743 0.80 PIK3CA (0.42) CYP19A1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL16114259 0.80 HDAC1 (0.37) PIK3CA
SCHEMBL20356874 0.79 GRIN1 (0.42) CYP19A1STS
SCHEMBL16044951 0.79 CYP19A1 (0.45) CYP19A1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL16044327 0.79 CYP19A1 (0.43) CYP19A1PIK3CAPIK3CDPIK3CBMTOR

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 2066/4885PIK3CA 222/4885PIK3CD 229/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D CYP19A1 2066/4885PIK3CA 222/4885PIK3CD 229/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D CYP19A1 2107/4885PIK3CA 215/4885PIK3CD 226/4885

“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.