SCHEMBL20232131

SCHEMBL20232131

c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3c3ccccc3c3ccccc3n4-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
PRKDC P78527 11/20 0.40
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRDT Q58F21 1/20 0.37
GGPS1 O95749 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ATM Q13315 2/20 0.31
PARP14 Q460N5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12158911 0.97 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL18505094 0.94 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL18505097 0.94 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17735781 0.94 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL20715247 0.94 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL20715250 0.94 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17735780 0.91 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL18505102 0.91 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL18505095 0.91 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL24676300 0.90 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4

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
EP-3548481-B1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
US-11329233-B2 Heterocyclic compounds for use in electronic devices MERCK PATENT GMBH (DE) 2022-05-10 US disclosed
US-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018100029-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-07 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-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES NQO1, DDT, ETV6 ALOX5 1459/4885PRKDC 1678/4885PIK3CD 3277/4885
US-11329233-B2 Heterocyclic compounds for use in electronic devices NQO1, DDT, ETV6 ALOX5 1459/4885PRKDC 1678/4885PIK3CD 3277/4885

“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.