SCHEMBL17853042

SCHEMBL17853042

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 4/20 0.36
▸ PIK3CG P48736 4/20 0.36
▸ PRKDC P78527 3/20 0.36
▸ PIK3CD O00329 3/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ TSHR P16473 6/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ATM Q13315 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL16441449 0.99 PIK3CB (0.36) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441512 0.94 ALOX5 (0.35) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17853043 0.94 MAPT (0.35) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16431833 0.94 TSHR (0.36) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441403 0.92 TSHR (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17954746 0.90 PIK3CB (0.37) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441398 0.90 KDM4E (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17853046 0.90 ALOX5 (0.35) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL16441543 0.88 ALOX5 (0.37) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL17703143 0.87 ALOX5 (0.38) PIK3CBPIK3CGPRKDCPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — US disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — US disclosed
US-11588117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-02-21 — — US disclosed
EP-3647393-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-05-06 — — EP disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 — — US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 — — 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 (3 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-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 PIK3CB 3402/4885PIK3CG 3208/4885PRKDC 1579/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 PIK3CB 3402/4885PIK3CG 3208/4885PRKDC 1579/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 PIK3CB 3402/4885PIK3CG 3208/4885PRKDC 1579/4885

“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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