SCHEMBL21257294

SCHEMBL21257294

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 10/20 0.54
▸ ABCB1 P08183 5/20 0.54
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ AHR P35869 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ABCC1 P33527 2/20 0.48
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL21849530 0.98 ABCG2 (0.53) ABCG2ABCB1ADORA2AADORA1AHR
SCHEMBL20385208 0.93 AHR (0.57) ABCG2ABCB1ADORA2AADORA1AHR
SCHEMBL23594522 0.91 ABCG2 (0.50) ABCG2ABCB1ADORA2AADORA1AHR
SCHEMBL31663591 0.91 ABCG2 (0.62) ABCG2ABCB1ADORA2AADORA1ABCC1
SCHEMBL22883053 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR
SCHEMBL23383904 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR
SCHEMBL23383850 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR
SCHEMBL20396079 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR
SCHEMBL23384091 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR
SCHEMBL22360641 0.89 ABCG2 (0.60) ABCG2ABCB1ABCC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11778905-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-03 — — US disclosed
US-11778905-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-03 — — US disclosed
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 — — US disclosed
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 — — US disclosed
EP-3858831-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT Materials Co., Ltd. (KR) 2021-08-04 — — EP disclosed
US-20210202863-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-07-01 — — US disclosed
WO-2019156405-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-08-15 — — 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 (3 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-11778905-B2 Compound and organic light emitting device comprising same CRKL, ARL1, NR0B1 ABCG2 3705/4885ABCB1 2617/4885ADORA2A 530/4885
US-20210202863-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 ABCG2 2475/4885ABCB1 1530/4885ADORA2A 3723/4885
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 ABCG2 2475/4885ABCB1 1530/4885ADORA2A 3723/4885

“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