SCHEMBL21717469

SCHEMBL21717469

Clc1cccc2cc3c(cc12)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ALOX5 P09917 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 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
SCHEMBL21213455 0.90 ALOX5 (0.37) PRKDCCCNCCDK8ALOX5PIK3CD
SCHEMBL21716209 0.89 ALOX5 (0.36) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL21717082 0.88 GSR (0.39) PRKDCALOX5
SCHEMBL21716814 0.85 ALOX5 (0.33) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL21716465 0.85 ALOX5 (0.33) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL21717063 0.84 GSR (0.33) PRKDCALOX5
SCHEMBL21454971 0.84 KDM4E (0.36) PRKDCALOX5PIK3CDPIK3CBKDM4E
SCHEMBL21716877 0.84 GSR (0.33) PRKDCALOX5
SCHEMBL21212924 0.82 ALOX5 (0.36) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL23026795 0.82 ALOX5 (0.34) PRKDCALOX5PIK3CDPIK3CB

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 PRKDC 4408/4885CCNC 202/4885CDK8 838/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 PRKDC 4408/4885CCNC 202/4885CDK8 838/4885

“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.