SCHEMBL22084549

SCHEMBL22084549

c1ccc(-c2ccccc2-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 9/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ PARP14 Q460N5 1/20 0.35
▸ GGPS1 O95749 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PDGFRB P09619 1/20 0.33

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
SCHEMBL23024900 0.96 ALOX5 (0.42) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL23024852 0.94 ALOX5 (0.41) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL23025067 0.94 ALOX5 (0.41) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL13528942 0.94 PRKDC (0.45) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL12996603 0.94 PRKDC (0.45) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL23024835 0.94 ALOX5 (0.43) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL24681573 0.94 ALOX5 (0.40) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL23349780 0.93 PRKDC (0.42) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL21261116 0.93 ALOX5 (0.43) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL23349432 0.93 PRKDC (0.42) PRKDCPIK3CDPIK3CBALOX5BRD4

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-20230047894-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 — — US disclosed
WO-2020116615-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 2020-06-11 — — 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 (1 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-20230047894-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AOC2, OR10J3, AOC3 PRKDC 4824/4885PIK3CD 4830/4885PIK3CB 4828/4885

“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.

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