SCHEMBL872679

SCHEMBL872679

CCCCCNCc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6c(n5)CCCC6)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
TYRO3 Q06418 2/20 0.34
MERTK Q12866 2/20 0.34
TTK P33981 1/20 0.33
CYP3A4 P08684 1/20 0.33
WDR5 P61964 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
SCHEMBL3025265 0.94 PDE4B (0.36) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL872077 0.93 PDE4B (0.38) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL3018897 0.93 PDE4B (0.38) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL3024938 0.93 PDE4B (0.37) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL871169 0.93 PDE4B (0.37) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL870877 0.92 PDE4B (0.38) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL3029121 0.91 PDE4B (0.39) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL16104323 0.91 PDE4B (0.39) PDE4BHDAC1HDAC2PDE4APDE4C
SCHEMBL871562 0.90 PDE4B (0.43) PDE4BHDAC1HDAC2CNR2CYP3A4
SCHEMBL871563 0.90 PDE4B (0.43) PDE4BHDAC1HDAC2CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HDAC1 596/4885HDAC2 899/4885

“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.