SCHEMBL21736200

SCHEMBL21736200

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3c2oc2ccccc23)c2sc3ccccc3c2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
PRKDC P78527 4/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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
SCHEMBL18665813 0.92 ALOX5 (0.31) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL18553345 0.92 ALOX5 (0.31) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL18961909 0.91 PRKDC (0.32) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL18962000 0.91 PRKDC (0.32) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL23046517 0.90 PRKDC (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL18553474 0.90 PRKDC (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21736479 0.90
SCHEMBL23046436 0.90 ALOX5 (0.30) ALOX5
SCHEMBL18553529 0.90 ALOX5 (0.30) ALOX5
SCHEMBL21736559 0.89 ALOX5 (0.31) ALOX5NPC1CYP1A2CYP2C9CYP2C19

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 599/4885PRKDC 4766/4885PIK3CD 4544/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ALOX5 599/4885PRKDC 4766/4885PIK3CD 4544/4885

“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.