SCHEMBL21679705

SCHEMBL21679705

Brc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALOX5 P09917 2/20 0.41
PRKDC P78527 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
KMT2A Q03164 2/20 0.36
C1R P00736 1/20 0.36
CDK2 P24941 1/20 0.35
ADORA2A P29274 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
ADK P55263 1/20 0.32

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
SCHEMBL23077253 0.86 CYP1A2 (0.51) CYP1A2KMT2AC1RADORA2AKDM4E
SCHEMBL21679713 0.84 CYP1A2 (0.48) CYP1A2KMT2AC1RADORA2AKDM4E
SCHEMBL17232204 0.83 KMT2A (0.48) ALOX5PRKDCPIK3CDPIK3CBKMT2A
SCHEMBL21849507 0.82 ALOX5 (0.43) CYP1A2ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL27285425 0.82 ALOX5 (0.43) CYP1A2ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL16648205 0.81 MEN1 (0.48) ALOX5PRKDCPIK3CDPIK3CBKMT2A
SCHEMBL22736266 0.80 ADORA2A (0.51) CYP1A2ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22880080 0.80 MEN1 (0.45) ALOX5PRKDCPIK3CDPIK3CBKMT2A
SCHEMBL22880472 0.80 MEN1 (0.47) ALOX5PRKDCPIK3CDPIK3CBKMT2A
SCHEMBL31281252 0.78 ALOX5 (0.58) CYP1A2ALOX5PRKDCPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 US 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 CYP1A2 6/4885ALOX5 758/4885PRKDC 4408/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 CYP1A2 6/4885ALOX5 758/4885PRKDC 4408/4885

“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.