SCHEMBL21717465

SCHEMBL21717465

c1cc(-n2c3ccccc3c3ccccc32)c2cc3c4ccccc4n(-c4nc(-c5cccc6c5sc5ccccc56)nc5ccccc45)c3cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
MAPT P10636 3/20 0.33
CYP1A2 P05177 7/20 0.32
CYP3A4 P08684 6/20 0.32
CYP2D6 P10635 5/20 0.32
HSD17B10 Q99714 4/20 0.32
MEN1 O00255 4/20 0.32
CYP2C19 P33261 4/20 0.32
KMT2A Q03164 4/20 0.32
CLK4 Q9HAZ1 3/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ABCB1 P08183 1/20 0.32
SMAD3 P84022 1/20 0.32
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
PRKDC P78527 3/20 0.31
USP2 O75604 3/20 0.30
LMNA P02545 2/20 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
SCHEMBL21717670 0.98 ALOX5 (0.34) ALOX5MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL21716874 0.94 ALOX5 (0.32) ALOX5MAPT
SCHEMBL21717682 0.93 ALOX5 (0.30) ALOX5MAPT
SCHEMBL21213585 0.91 ALOX5 (0.36) ALOX5MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL21212995 0.88 ALOX5 (0.38) ALOX5MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL21716209 0.85 ALOX5 (0.36) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21717082 0.84 GSR (0.39) ALOX5PRKDC
SCHEMBL21717221 0.84 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL21924418 0.83 ALOX5 (0.38) ALOX5MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL21716569 0.82 GSR (0.36) MAPTCYP1A2CYP3A4CYP2D6HSD17B10

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 ALOX5 758/4885MAPT 1417/4885CYP1A2 6/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ALOX5 758/4885MAPT 1417/4885CYP1A2 6/4885

“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.