SCHEMBL16075841

SCHEMBL16075841

CCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
CYP19A1 P11511 1/20 0.36
USP7 Q93009 1/20 0.35
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34
EPHB4 P54760 1/20 0.34
XPO1 O14980 2/20 0.34
LMNA P02545 1/20 0.33
PDE4D Q08499 1/20 0.33
LIMK1 P53667 1/20 0.33
CTSA P10619 1/20 0.32

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
SCHEMBL20083188 0.94 PDE4B (0.39) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16113543 0.92 PDE4B (0.41) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16044615 0.92 PDE4B (0.41) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16047044 0.92 PDE4B (0.39) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16043829 0.91 PDE4B (0.40) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16044161 0.89 PDE4B (0.41) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16075840 0.89 HDAC1 (0.41) PDE4BHDAC1HDAC6CYP19A1USP7
SCHEMBL16113238 0.89 CYP19A1 (0.39) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16044021 0.89 PDE4B (0.39) PDE4BHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL16075847 0.87 FNTA (0.36) PDE4BHDAC1HDAC6PDE4D

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 4 patents. 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 disclosed
EP-2970212-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-04-25 EP disclosed
US-9040692-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-26 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 (1 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-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885HDAC1 623/4885HDAC6 1271/4885

“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.