SCHEMBL21736307

SCHEMBL21736307

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3c2sc2ccccc23)c2c(n1)sc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ADK P55263 2/20 0.33
ELANE P08246 1/20 0.32
PRKDC P78527 6/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PARP14 Q460N5 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
MAPT P10636 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
SCHEMBL18962057 0.91 ALOX5 (0.34) ALOX5ADKPRKDCPIK3CDPIK3CB
SCHEMBL18962073 0.91 ALOX5 (0.34) ALOX5ADKPRKDCPIK3CDPIK3CB
SCHEMBL21475002 0.91 ADK (0.34) ADKELANE
SCHEMBL21736093 0.91 ADK (0.34) ADKELANE
SCHEMBL20670270 0.90 ADK (0.34) ADKELANEBRDT
SCHEMBL23983812 0.89 ALOX5 (0.33) ALOX5ADKELANEPRKDCPIK3CD
SCHEMBL21735877 0.88 ALDH1A1 (0.34) ADKELANE
SCHEMBL21736081 0.86 ADK (0.32) ADKELANE
SCHEMBL21213733 0.85 ALOX5 (0.36) ALOX5ADKPRKDCPIK3CDPIK3CB
SCHEMBL21736203 0.85 ALOX5 (0.36) ALOX5ADKPRKDCPIK3CDPIK3CB

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 ALOX5 599/4885ADK 4228/4885ELANE 4654/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ALOX5 599/4885ADK 4228/4885ELANE 4654/4885

“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.