SCHEMBL21849530

SCHEMBL21849530

N#Cc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.53
▸ ABCB1 P08183 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AHR P35869 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ ABCC1 P33527 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.47
▸ GABRA1 P14867 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46

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
SCHEMBL21257294 0.98 ABCG2 (0.54) ABCG2ABCB1ALDH1A1MAPK1NPC1
SCHEMBL23594522 0.92 ABCG2 (0.50) ABCG2ABCB1ALDH1A1MAPK1NPC1
SCHEMBL22360641 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL23384091 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL22883053 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL23383904 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL23383850 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL22106575 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL20396079 0.91 ABCG2 (0.60) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL20385208 0.91 AHR (0.57) ABCG2ABCB1ALDH1A1SMN1; SMN2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2020067594-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 희성소재(주) 2020-04-02 — — 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-20210202863-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 ABCG2 2475/4885ABCB1 1530/4885ALDH1A1 15/4885
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 ABCG2 2475/4885ABCB1 1530/4885ALDH1A1 15/4885

“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.

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