SCHEMBL29121913

SCHEMBL29121913

CC(C)Cn1nc(CO)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ P2RX3 P56373 1/20 0.36
▸ ELANE P08246 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ DNMT1 P26358 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ AKR1B1 P15121 2/20 0.34
▸ BAX Q07812 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
SCHEMBL29122205 0.84 ADORA2A (0.38) DNM1MAPTSMN1; SMN2ELANELMNA
SCHEMBL29121843 0.81 ADORA2A (0.41) DNM1MAPTSMN1; SMN2ELANEMAPK8
SCHEMBL15687171 0.81 ADORA2A (0.41) DNM1MAPTSMN1; SMN2ELANELMNA
SCHEMBL23218320 0.79 NLRP3 (0.42) DNM1MAPTSMN1; SMN2P2RX3ELANE
SCHEMBL29122920 0.79 AKR1B1 (0.38) DNM1MAPTSMN1; SMN2P2RX3ELANE
SCHEMBL29123059 0.79 ESR1 (0.40) MAPTSMN1; SMN2ELANELMNAMAPK8
SCHEMBL29121991 0.78 ELANE (0.57) MAPTSMN1; SMN2ELANEHTTKDM4C
SCHEMBL17419177 0.77 MAPK8 (0.42) DNM1MAPTSMN1; SMN2P2RX3ELANE
SCHEMBL23218779 0.76 MAPT (0.39) MAPTLMNAHTTNPSR1MAPK8
SCHEMBL29122251 0.76 HCAR3 (0.36) DNM1MAPTSMN1; SMN2P2RX3ELANE

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
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 DNM1 4006/4885MAPT 1734/4885SMN1; SMN2 4845/4885

“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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