SCHEMBL23376988

SCHEMBL23376988

CC(C)(C)c1ccc2nc(CC(C)(C)c3cnc4ccccc4c3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.60
▸ METAP2 P50579 1/20 0.46
▸ SCN10A Q9Y5Y9 8/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41

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
SCHEMBL19424168 0.78 PDE10A (0.45) PDE10AMETAP2TRPV1
SCHEMBL15038254 0.75 PDE10A (1.00) PDE10AMETAP2SCN10AKCNH2
SCHEMBL21022998 0.75 PDE10A (0.46) PDE10AMETAP2SCN10AKCNH2PLK4
SCHEMBL418110 0.73 CYP1A2 (0.57) ABL1TRPV1
SCHEMBL12190473 0.72 SCN10A (0.58) PDE10AMETAP2SCN10AKCNH2PLK4
SCHEMBL23479213 0.71 PDE10A (0.46) PDE10AMETAP2SCN10AKCNH2PLK4
SCHEMBL15945343 0.71 SCN10A (0.62) PDE10AMETAP2SCN10AKCNH2SCD
SCHEMBL2633082 0.71 CYP1A2 (0.50) TRPV1
SCHEMBL19341334 0.69 KCNH2 (0.40) PDE10AKCNH2TRPV1
SCHEMBL23479517 0.69 PDE10A (0.43) PDE10AMETAP2SCN10AKCNH2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 — — US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 — — 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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 PDE10A 2486/4885METAP2 3249/4885SCN10A 822/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 PDE10A 2247/4885METAP2 3448/4885SCN10A 672/4885

“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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