SCHEMBL29341106

SCHEMBL29341106

COc1c(C)ccnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ USP8 P40818 2/20 0.35
▸ USP7 Q93009 2/20 0.35
▸ GAK O14976 2/20 0.33
▸ RIPK2 O43353 2/20 0.33
▸ COQ8A Q8NI60 2/20 0.33
▸ NLK Q9UBE8 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL31280272 1.00 GAA (0.38) GAAMAOAALDH1A1PLCG1USP8
SCHEMBL2239557 0.81 USP8 (0.44) GAAALDH1A1USP8USP7GAK
SCHEMBL29852563 0.79 PLCG1 (0.36) GAAMAOAALDH1A1PLCG1USP8
SCHEMBL30630762 0.79 PLCG1 (0.36) MAOAALDH1A1PLCG1USP8USP7
SCHEMBL30527595 0.79 PLCG1 (0.36) MAOAALDH1A1PLCG1USP8USP7
SCHEMBL23218431 0.79 PLCG1 (0.36) GAAMAOAALDH1A1PLCG1USP8
SCHEMBL2239641 0.79 L3MBTL1 (0.38) GAAMAOAALDH1A1PLCG1USP8
SCHEMBL2238931 0.79 PLCG1 (0.36) MAOAALDH1A1PLCG1USP8USP7
SCHEMBL29539340 0.79 PLA2G2A (0.37) ALDH1A1PLCG1USP8USP7GAK
SCHEMBL24784099 0.78 HRH3 (0.33) —

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 GAA 193/4885MAOA 1654/4885ALDH1A1 1532/4885

“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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