SCHEMBL17445401

SCHEMBL17445401

c1ccc(-n2c3ccccc3c3c4c(c5ccccc5c32)c2ccccc2c2c4c3ccccc3n2-c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PRKDC P78527 1/20 0.33
ALOX5 P09917 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17405352 0.91 PIK3CD (0.32) PIK3CDPIK3CBPRKDCALOX5LMNA
SCHEMBL14756500 0.90 KDM4E (0.34) PIK3CDPIK3CBPRKDCALOX5LMNA
SCHEMBL19986110 0.88 PRKDC (0.34) PIK3CDPIK3CBPRKDCALOX5NPC1
SCHEMBL18350144 0.88 ALOX5 (0.32) PIK3CDPIK3CBPRKDCALOX5
SCHEMBL22199964 0.88 PRKDC (0.35) PIK3CDPIK3CBPRKDCALOX5NPC1
SCHEMBL19979395 0.87 KDM4E (0.32) PIK3CDPIK3CBPRKDCALOX5KDM4E
SCHEMBL17408786 0.87 ALOX5 (0.31) PIK3CDPIK3CBPRKDCALOX5
SCHEMBL19653954 0.87 KDM4E (0.35) PIK3CDPIK3CBPRKDCALOX5NPC1
SCHEMBL14756492 0.86 PRKDC (0.34) PIK3CDPIK3CBPRKDCALOX5NPC1
SCHEMBL20312137 0.85 ALDH1A1 (0.36) PIK3CDPIK3CBPRKDCALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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 (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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 PIK3CD 4454/4885PIK3CB 4624/4885PRKDC 3597/4885

“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.