SCHEMBL16075879

SCHEMBL16075879

Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
CTSA P10619 2/20 0.36
TDO2 P48775 1/20 0.35
PDE4D Q08499 2/20 0.35
NUDT1 P36639 2/20 0.34
DHFR P00374 1/20 0.34
GRM5 P41594 1/20 0.34
LIMK1 P53667 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
P2RX7 Q99572 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LMNA P02545 1/20 0.33
ADORA1 P30542 2/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL16075865 0.90 CTSA (0.37) PDE4BCTSATDO2PDE4DNUDT1
SCHEMBL16045869 0.89 PDE4B (0.39) PDE4BCTSATDO2PDE4DNUDT1
SCHEMBL16044306 0.89 PDE4B (0.39) PDE4BCTSATDO2PDE4DNUDT1
SCHEMBL16045267 0.89 PDE4B (0.41) PDE4BCTSATDO2PDE4DNUDT1
SCHEMBL16044201 0.89 PDE4B (0.41) PDE4BCTSATDO2NUDT1DHFR
SCHEMBL16044727 0.89 DHFR (0.45) PDE4BTDO2PDE4DNUDT1DHFR
SCHEMBL16075880 0.87 ADORA1 (0.39) PDE4BCTSAPDE4DNUDT1LIMK1
SCHEMBL16075862 0.86 NPC1 (0.38) PDE4BCTSAPDE4DNUDT1HCRTR1
SCHEMBL16043956 0.86 CTSA (0.45) PDE4BCTSAPDE4DNUDT1DHFR
SCHEMBL16047543 0.86 PDE4B (0.39) PDE4BTDO2NUDT1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885CTSA 1783/4885TDO2 2775/4885

“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.