SCHEMBL6101729

SCHEMBL6101729

CCc1c(Cn2ccnc2-c2ncccn2)nc2cccnn12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.39
▸ MYC P01106 1/20 0.32
▸ PDE4B Q07343 3/20 0.31
▸ PDE4D Q08499 3/20 0.31
▸ PDE4C Q08493 2/20 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
SCHEMBL6101180 0.88 PDE4A (0.38) PDE4AMYC
SCHEMBL6099664 0.85 PDE4A (0.36) PDE4AMYCPDE4BPDE4DPDE4C
SCHEMBL6102757 0.83 PDE4A (0.36) PDE4AMYCPDE4BPDE4DPDE4C
SCHEMBL6102611 0.83 LMNA (0.33) —
SCHEMBL6099272 0.80 USP1 (0.31) —
SCHEMBL6100048 0.80 PDE4A (0.37) PDE4AMYCPDE4BPDE4DPDE4C
SCHEMBL6100860 0.79 AKT1 (0.32) PDE4A
SCHEMBL7455222 0.78 PDE4A (0.31) PDE4A
SCHEMBL6101979 0.78 PDE10A (0.33) —
SCHEMBL14754859 0.77 PDE4A (0.47) PDE4AMYCPDE4BPDE4DPDE4C

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
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 — — US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 — — EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 — — 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 (2 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 PDE4A 2291/4885MYC 2880/4885PDE4B 2418/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 PDE4A 2113/4885MYC 3048/4885PDE4B 2675/4885

“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.

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