SCHEMBL29122733

SCHEMBL29122733

COC(=O)c1c2cc(Br)ccc2nn1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK8 P45983 3/20 0.43
▸ TSHR P16473 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ ELANE P08246 4/20 0.40
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29121823 0.98 MAPK8 (0.45) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL28387098 0.96 MAPK8 (0.47) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29122339 0.90 L3MBTL1 (0.41) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29122002 0.88 MAPK8 (0.39) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29121571 0.85 L3MBTL1 (0.40) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29122594 0.85 L3MBTL1 (0.40) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29122916 0.85 L3MBTL1 (0.40) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29121714 0.84 L3MBTL1 (0.41) L3MBTL1MAPK8TSHRHTTELANE
SCHEMBL29122496 0.83 FPR2 (0.44) CYP3A4ALDH1A1
SCHEMBL28191890 0.81 POLB (0.47) L3MBTL1MAPK8HTTPOLBKMT2A

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 4 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
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN 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 L3MBTL1 3540/4885MAPK8 2662/4885TSHR 4825/4885

“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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