SCHEMBL14828362

SCHEMBL14828362

Cc1ccc2c(c1)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1C)CC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 14/20 0.44
PDE5A O76074 1/20 0.41
PDE1B Q01064 3/20 0.36
PDE1A P54750 2/20 0.36
PDE1C Q14123 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7905610 0.94 PDE9A (0.44) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL12044656 0.92 PDE9A (0.46) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL10186206 0.91 PDE9A (0.44) PDE9APDE5AL3MBTL1
SCHEMBL7905664 0.91 PDE9A (0.42) PDE9APDE5APDE1BL3MBTL1
SCHEMBL7908597 0.90 PDE9A (0.42) PDE9APDE5A
SCHEMBL12044199 0.90 PDE9A (0.41) PDE9APDE5APDE1BL3MBTL1
SCHEMBL7896957 0.89 PDE9A (0.41) PDE9APDE5A
SCHEMBL7900285 0.89 PDE9A (0.44) PDE9APDE5A
SCHEMBL12044822 0.89 PDE9A (0.44) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL1723938 0.88 PDE9A (0.43) PDE9APDE5APDE1BPDE1APDE1C

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-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A PDE9A 1/4885PDE5A 4/4885PDE1B 30/4885

“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.