SCHEMBL21345685

SCHEMBL21345685

N#Cc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2sc2c(-c4ccccc4)cc(-c4ccccc4)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 13/20 0.41
▸ ABCB1 P08183 8/20 0.41
▸ ABCC1 P33527 3/20 0.38
▸ MYC P01106 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL22523971 0.97 ABCG2 (0.41) ABCG2ABCB1ABCC1MYCGABRA1
SCHEMBL21345698 0.96 ABCG2 (0.39) ABCG2ABCB1ABCC1MYCGABRA1
SCHEMBL21345686 0.92 CYP1A2 (0.42) ABCG2MEN1ALDH1A1LMNACYP1A2
SCHEMBL21345733 0.90 MEN1 (0.37) MEN1ALDH1A1LMNAKMT2A
SCHEMBL22523974 0.88 CYP1A2 (0.42) ABCG2MEN1ALDH1A1LMNACYP1A2
SCHEMBL21345694 0.86 MEN1 (0.36) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL21345894 0.86 MEN1 (0.36) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL22524014 0.86 MEN1 (0.36) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL23623331 0.85 MEN1 (0.40) ABCG2ABCB1ABCC1MYCGABRA1
SCHEMBL22524046 0.85 LIMK1 (0.35) MEN1ALDH1A1LMNATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370782-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2022-06-28 — — US disclosed
US-20200317650-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-10-08 — — US disclosed
WO-2019172652-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-09-12 — — WO 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-11370782-B2 Compound and organic light emitting device comprising the same OXER1, ARL1, UBE2L3 ABCG2 3527/4885ABCB1 3882/4885ABCC1 3711/4885
US-20200317650-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME OXER1, NR2E3, ORC3 ABCG2 3054/4885ABCB1 3797/4885ABCC1 3599/4885

“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.

Send feedback