SCHEMBL16045405

SCHEMBL16045405

CC(c1cnc(OC(F)F)c(-c2cccc(Cl)c2)c1)n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP19A1 P11511 2/20 0.34
IDO1 P14902 1/20 0.34
PGGT1B P53609 2/20 0.33
PDE4B Q07343 2/20 0.33
DHFR P00374 1/20 0.33
KDR P35968 1/20 0.33
CYP17A1 P05093 1/20 0.32
KCNA5 P22460 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TDO2 P48775 1/20 0.32
KCNH2 Q12809 1/20 0.32
LIMK1 P53667 1/20 0.32
FYN P06241 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16047136 0.80 KCNA5 (0.39) HCRTR1HCRTR2PDE4BDHFRKCNA5
SCHEMBL28045843 0.80 TDO2 (0.37) HCRTR1HCRTR2PDE4BDHFRKCNA5
SCHEMBL16043810 0.77 TDO2 (0.39) PDE4BDHFRKCNA5ADORA2AADORA1
SCHEMBL16044180 0.77 CYP19A1 (0.55) HCRTR1HCRTR2CYP19A1PDE4BKDR
SCHEMBL16044339 0.71 CYP19A1 (0.55) CYP19A1PDE4BKDR
SCHEMBL16048920 0.71 CNR1 (0.36) PDE4BADORA1NUDT1
SCHEMBL16075838 0.70 PDE4B (0.45) HCRTR1HCRTR2CYP19A1PDE4BDHFR
SCHEMBL16044201 0.70 PDE4B (0.41) CYP19A1IDO1PDE4BDHFRKCNA5
SCHEMBL28604063 0.70 PDE4B (0.44) HCRTR1HCRTR2PDE4BDHFRKCNA5
SCHEMBL16045080 0.70 P2RX7 (0.44) PDE4BKCNA5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345902-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-10-30 EP claimed
EP-3345902-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS Dart NeuroScience (Cayman) Ltd (KY) 2018-07-11 EP claimed
EP-2970212-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-04-25 EP claimed
EP-2970212-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2016-01-20 EP claimed
US-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC 2016-01-14 US claimed
CN-105143207-A Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC 2015-12-09 CN claimed
US-9120770-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-09-01 US claimed
US-20140315913-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-10-23 US claimed
WO-2014158998-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC (US) 2014-10-02 WO claimed
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
CN-108299400-B Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors 达特神经科学(开曼)有限公司 2021-02-19 CN disclosed
EP-3345902-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-10-30 EP disclosed
US-20140315913-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-10-23 US disclosed
WO-2014158998-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC (US) 2014-10-02 WO disclosed
WO-2014158998-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC (US) 2014-10-02 WO disclosed
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-09-18 US disclosed
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-09-18 US disclosed
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-09-18 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 (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-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D HCRTR1 1579/4885HCRTR2 2149/4885CYP19A1 2066/4885
US-20140315913-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D HCRTR1 1137/4885HCRTR2 2075/4885CYP19A1 1917/4885
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D HCRTR1 1137/4885HCRTR2 2075/4885CYP19A1 1917/4885
US-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D HCRTR1 1588/4885HCRTR2 2176/4885CYP19A1 2107/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D HCRTR1 1579/4885HCRTR2 2149/4885CYP19A1 2066/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D HCRTR1 1588/4885HCRTR2 2176/4885CYP19A1 2107/4885

“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.