SCHEMBL21717429

SCHEMBL21717429

c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)c5ccccc5n4)cccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABCB1 P08183 1/20 0.30
SMAD3 P84022 1/20 0.30
HIF1A Q16665 2/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL21717715 0.92 KDM4E (0.38) MAPTKDM4EATML3MBTL1CYP1A2
SCHEMBL21717190 0.90 MAPT (0.35) MAPTKDM4EATML3MBTL1CYP1A2
SCHEMBL21717703 0.88 MAPT (0.35) MAPTKDM4EATML3MBTL1CYP1A2
SCHEMBL21716582 0.88 CYP1A2 (0.30) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21717379 0.87 ABCG2 (0.34) KDM4EATML3MBTL1CYP1A2CYP3A4
SCHEMBL21717577 0.87 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL21716583 0.87
SCHEMBL21717378 0.84 ALOX5 (0.30)
SCHEMBL21717381 0.84 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21212865 0.82 KDM4E (0.40) MAPTKDM4EATML3MBTL1CYP1A2

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 MAPT 1417/4885KDM4E 1813/4885ATM 3428/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 MAPT 1417/4885KDM4E 1813/4885ATM 3428/4885

“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.