SCHEMBL21849411

SCHEMBL21849411

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 14/20 0.53
▸ ABCB1 P08183 8/20 0.53
▸ ABCC1 P33527 3/20 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
▸ GABRA3 P34903 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MYC P01106 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL15308223 1.00 ABCG2 (0.53) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL31005176 1.00 ABCG2 (0.53) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL21849416 0.98 ABCG2 (0.54) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL29450769 0.98 ABCG2 (0.54) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL26179644 0.94 ABCG2 (0.51) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL26179643 0.94 ABCG2 (0.51) ABCG2ABCB1ABCC1ALDH1A3GABRA1
Benzonitrile SCHEMBL25236472 0.93 TSHR (0.52) ABCG2ABCB1ABCC1TSHRMEN1
SCHEMBL21849412 0.92 ABCG2 (0.50) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL29385966 0.92 ABCG2 (0.50) ABCG2ABCB1ABCC1ALDH1A3GABRA1
SCHEMBL31424086 0.92 ABCG2 (0.50) ABCG2ABCB1ABCC1ALDH1A3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 — — US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 — — US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 — — US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 — — 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
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-16 — — US disclosed
WO-2022267801-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-12-29 — — WO 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 (5 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 1530/4885ABCC1 1949/4885
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 ABCG2 908/4885ABCB1 321/4885ABCC1 346/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 ABCG2 2987/4885ABCB1 1548/4885ABCC1 3026/4885
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 ABCG2 2475/4885ABCB1 1530/4885ABCC1 1949/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 ABCG2 2987/4885ABCB1 1548/4885ABCC1 3026/4885

“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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