SCHEMBL16435878

SCHEMBL16435878

Cc1cccc(-c2ccc(Cn3nc4c(c3Sc3ccccn3)C(=O)NC3=N[C@@H]5CCC[C@@H]5N34)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 0.52
▸ PDE1A P54750 2/20 0.48
▸ PDE1B Q01064 1/20 0.48
▸ PDE2A O00408 1/20 0.47
▸ PDE8A O60658 1/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ PDE9A O76083 1/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE11A Q9HCR9 1/20 0.47
▸ PDE7B Q9NP56 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.47

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
SCHEMBL2511191 0.92 PDE4A (0.60) PDE4APDE1APDE1B
SCHEMBL12198227 0.86 PDE4A (0.69) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL2476990 0.82 PDE1A (0.64) PDE4APDE1APDE1B
SCHEMBL18927928 0.82 PDE1A (0.64) PDE4APDE1APDE1B
SCHEMBL12198217 0.79 PDE4A (0.82) PDE4APDE1APDE1B
SCHEMBL23082965 0.78 PDE4A (0.63) PDE4APDE1APDE1B
SCHEMBL12198193 0.76 PDE4A (0.85) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL16360148 0.76 PDE4A (0.54) PDE4APDE1APDE2APDE8APDE5A
SCHEMBL15479041 0.76 PDE4A (0.73) PDE4APDE1BPDE2APDE8APDE5A
SCHEMBL16360155 0.74 PDE4A (0.53) PDE4APDE1APDE2APDE8APDE5A

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-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — 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-20150038474-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885

“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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