SCHEMBL21729275

SCHEMBL21729275

C=N/C(=C\C(=C/C)c1ccccc1)c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)ccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ASIC3 Q9UHC3 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ LTB4R Q15722 3/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PIM1 P11309 1/20 0.31

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
SCHEMBL25454434 0.92 PLAU (0.32) SMOTGFBR1PLAUEGFR
SCHEMBL19311745 0.82 SMO (0.36) SMOCYP19A1TGFBR1ADORA3ADORA2B
SCHEMBL17932831 0.76 CYP19A1 (0.53) SMOCYP19A1TGFBR1ADORA3ADORA2B
SCHEMBL19037259 0.72 TGFBR1 (0.49) SMOCYP19A1TGFBR1ASIC3MEN1
SCHEMBL20901161 0.72 HSD17B1 (0.34) CYP19A1ADORA3ADORA2BADORA1MEN1
SCHEMBL20625867 0.71 MEN1 (0.32) MEN1KMT2A
SCHEMBL25616099 0.71 HSD17B1 (0.34) CYP19A1ADORA3ADORA2BADORA1MEN1
SCHEMBL20169567 0.71 KAT6A (0.35) MEN1KMT2A
SCHEMBL25680613 0.70 MEN1 (0.47) SMOCYP19A1ADORA1ASIC3MEN1
SCHEMBL25583006 0.70 ASIC3 (0.53) SMOCYP19A1TGFBR1ASIC3PLAU

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-20230225208-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 — — US disclosed
US-20230165029-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
US-20230121704-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-20 — — US disclosed
US-20230012692-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 — — US disclosed
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 — — US disclosed
US-20220149288-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-12 — — US disclosed
US-11329231-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-10 — — US disclosed
US-20220112229-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-04-14 — — US disclosed
US-10954254-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-03-23 — — US disclosed
US-20200388771-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 — — US disclosed
US-20200058878-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-20 — — 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 (6 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-20230225208-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR LIGHT EMITTING ELEMENT CRY1, PER2, CRY2 SMO 1427/4885CYP19A1 3359/4885TGFBR1 4312/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA SMO 333/4885CYP19A1 161/4885TGFBR1 2197/4885
US-20220112229-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, ORC3 SMO 391/4885CYP19A1 116/4885TGFBR1 1988/4885
US-10954254-B2 Heterocyclic compound and organic light-emitting device including the same TYR, DDT, LEF1 SMO 2671/4885CYP19A1 151/4885TGFBR1 1287/4885
US-20230121704-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND FUSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE ODC1, PIEZO1, LEF1 SMO 2941/4885CYP19A1 486/4885TGFBR1 2032/4885
US-20230012692-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR THE SAME MAOA, SAT1, ALDH1A1 SMO 2431/4885CYP19A1 705/4885TGFBR1 1235/4885

“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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