SCHEMBL29121828

SCHEMBL29121828

OCc1c2cc(Br)ccc2nn1C1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ SRC P12931 5/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ SPR P35270 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ PIK3CA P42336 5/20 0.31
▸ PIK3CD O00329 4/20 0.31
▸ ABL1 P00519 4/20 0.31
▸ EGFR P00533 4/20 0.31
▸ HCK P08631 4/20 0.31
▸ KDR P35968 4/20 0.31
▸ PIK3CB P42338 4/20 0.31
▸ MTOR P42345 4/20 0.31
▸ PIK3CG P48736 4/20 0.31

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
SCHEMBL29121967 0.83 MAPT (0.36) IRAK4RXFP1MAPTALDH1A1HTT
SCHEMBL29122457 0.83 MAPT (0.38) IRAK4RXFP1MAPTALDH1A1HTT
SCHEMBL29123043 0.82 POLB (0.40) RXFP1MAPTALDH1A1HTTPIK3CA
SCHEMBL29121652 0.78 KDM4C (0.39) IRAK4SRCSPRMAPTALDH1A1
SCHEMBL29122475 0.78 KDM4C (0.39) IRAK4SRCSPRMAPTALDH1A1
SCHEMBL29122103 0.78 KDM4C (0.39) IRAK4SRCSPRMAPTALDH1A1
SCHEMBL29122916 0.76 L3MBTL1 (0.40) IRAK4SRCSLC2A1SLC2A2SLC2A3
SCHEMBL29121571 0.76 L3MBTL1 (0.40) IRAK4SRCSLC2A1SLC2A2SLC2A3
SCHEMBL29122594 0.76 L3MBTL1 (0.40) IRAK4SRCSLC2A1SLC2A2SLC2A3
SCHEMBL29122614 0.74 POLB (0.35) RXFP1MAPTALDH1A1HTTCNR1

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 IRAK4 1876/4885SRC 3403/4885SLC2A1 4340/4885

“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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