SCHEMBL23218320

SCHEMBL23218320

CC(C)n1nc(CO)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.42
▸ DNM1 Q05193 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ P2RX3 P56373 1/20 0.35
▸ ELANE P08246 6/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DNMT1 P26358 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
SCHEMBL29121700 0.87 HCAR3 (0.36) NLRP3DNM1SMN1; SMN2MAPTP2RX3
SCHEMBL29122251 0.87 HCAR3 (0.36) NLRP3DNM1SMN1; SMN2MAPTP2RX3
SCHEMBL29121702 0.87 HCAR3 (0.36) NLRP3DNM1SMN1; SMN2MAPTP2RX3
SCHEMBL23467048 0.86 NLRP3 (0.40) NLRP3DNM1SMN1; SMN2MAPTELANE
SCHEMBL23229140 0.85 NLRP3 (0.38) NLRP3DNM1SMN1; SMN2MAPTELANE
SCHEMBL17419177 0.80 MAPK8 (0.42) DNM1SMN1; SMN2MAPTP2RX3ELANE
SCHEMBL29121913 0.79 DNM1 (0.39) DNM1SMN1; SMN2MAPTP2RX3ELANE
SCHEMBL23219249 0.78 KDM4E (0.39) NLRP3DNM1SMN1; SMN2MAPTLMNA
SCHEMBL15970798 0.78 MAPK8 (0.40) NLRP3DNM1SMN1; SMN2MAPTELANE
SCHEMBL6112453 0.78 POLB (0.47) SMN1; SMN2POLB

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 7 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
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 — — EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 — — CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 NLRP3 1428/4885DNM1 4006/4885SMN1; 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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