SCHEMBL21811833

SCHEMBL21811833

COC(=O)c1cnc(Nc2cccc(Br)c2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 13/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
ROCK1 Q13464 1/20 0.46
ERBB2 P04626 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX5 P09917 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL31717138 0.86 PDGFRB (0.56) MAPK1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL23675301 0.85 MAPT (0.51) MAPK1L3MBTL1EGFRMAPTSMN1; SMN2
SCHEMBL30509795 0.81 MAPK1 (0.72) MAPK1L3MBTL1EGFRMAPT
SCHEMBL21811853 0.81 MAPK1 (0.72) MAPK1L3MBTL1EGFRMAPT
SCHEMBL13202023 0.80 MAPK1 (0.52) MAPK1L3MBTL1EGFRMAPTMEN1
SCHEMBL2666277 0.79 GAA (0.58) MAPK1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL29996009 0.79 MAPT (0.51) MAPK1L3MBTL1EGFRMAPTSMN1; SMN2
SCHEMBL23675260 0.79 MAPT (0.51) MAPK1L3MBTL1EGFRMAPTSMN1; SMN2
SCHEMBL25352431 0.78 MAPK1 (0.49) MAPK1L3MBTL1EGFRMAPTNPC1
SCHEMBL14852208 0.76 NPC1 (0.52) MAPTSMN1; SMN2MEN1NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112714765-B GABA A Receptor ligands 萨尼奥纳有限责任公司 2023-06-30 CN disclosed
EP-3849976-B1 A GABA A RECEPTOR LIGAND SANIONA AS (DK) 2022-10-26 EP disclosed
US-11396510-B2 GABAA receptor ligand SANIONA A/S (DK) 2022-07-26 US disclosed
US-20210332042-A1 A GABAA Receptor Ligand SANIONA A/S (DK) 2021-10-28 US disclosed
US-20210332042-A1 A GABAA Receptor Ligand SANIONA A/S (DK) 2021-10-28 US disclosed
EP-3849976-A1 A GABA A RECEPTOR LIGAND Saniona A/S (DK) 2021-07-21 EP disclosed
CN-112714765-A GABAAReceptor ligands 萨尼奥纳有限责任公司 2021-04-27 CN disclosed
WO-2020053377-A1 A GABAA RECEPTOR LIGAND SANIONA A/S (DK) 2020-03-19 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 (2 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-20210332042-A1 A GABAA Receptor Ligand GABRA2, GABRA6, GABRA5 MAPK1 4095/4885L3MBTL1 2483/4885EGFR 560/4885
US-11396510-B2 GABAA receptor ligand GABRA2, GABRA3, GABRA6 MAPK1 4197/4885L3MBTL1 2359/4885EGFR 543/4885

“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.