SCHEMBL13075503

SCHEMBL13075503

CCC(NC)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ KCNK3 O14649 4/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ASPH Q12797 1/20 0.30
▸ KDM8 Q8N371 1/20 0.30

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
Hydrochloric Acid SCHEMBL30598730 0.98 ALDH1A1 (0.33) KCNA5KCNH2HRH3KCNK3ALDH1A1
SCHEMBL13075730 0.78 KDM4E (0.32) KCNK3KDM4EASPHKDM8
SCHEMBL22105074 0.77 HDAC6 (0.33) —
SCHEMBL2323123 0.75 KCNA5 (0.47) KCNA5KCNH2HRH3ALDH1A1LMNA
SCHEMBL24214645 0.74 HDAC6 (0.32) —
SCHEMBL24214744 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12464828 0.70 TSHR (0.34) KCNA5KCNH2ALDH1A1
SCHEMBL18432377 0.70 — —
SCHEMBL19841795 0.70 — —
SCHEMBL15166345 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 — — US disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 — — WO 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-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 KCNA5 316/4885KCNH2 492/4885HRH3 2166/4885

“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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