SCHEMBL21293788

SCHEMBL21293788

N#Cc1cccc(-c2cccc3c2sc2ccccc23)c1-c1cccc2c1sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.45
ALOX5 P09917 1/20 0.44
PRKDC P78527 8/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
BRD4 O60885 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRDT Q58F21 1/20 0.39
GPR3 P46089 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDK2 Q15119 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC9A1 P19634 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL21691826 0.91 PARP14 (0.45) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL29345479 0.87 ALOX5 (0.42) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21692631 0.85 PARP14 (0.40) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21369775 0.84 ALOX5 (0.50) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21692487 0.84 ALOX5 (0.51) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21692503 0.84 PARP14 (0.40) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21691635 0.84 ALOX5 (0.45) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL10029291 0.84 ALOX5 (0.54) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21691646 0.83 ALOX5 (0.47) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL11416167 0.82 GPR3 (0.48) PARP14ALOX5GPR3SLC22A12CA1

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-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 US disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 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-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 PARP14 4076/4885ALOX5 403/4885PRKDC 4595/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 PARP14 4076/4885ALOX5 403/4885PRKDC 4595/4885

“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.