SCHEMBL18232159

SCHEMBL18232159

CC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
NUDT1 P36639 3/20 0.44
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL18232171 0.89 ADORA2A (0.51) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL16520903 0.89 ADORA2A (0.55) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL25877823 0.88 ABCG2 (0.49) ADORA2ANUDT1CCNE2CCNE1CDK2
SCHEMBL21085589 0.83 ADORA2A (0.66) ADORA2AMAPTMEN1KMT2AALDH1A1
SCHEMBL18232158 0.83 ADORA2A (0.42) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL22113578 0.82 ADORA2A (0.40) ADORA2ANUDT1CCNE2CDK4CCND1
SCHEMBL21105662 0.82 ADORA2A (0.36) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL23473872 0.81 MAOA (0.39) ADORA2ACCNE2CDK4CCND1CCNE1
SCHEMBL26936075 0.81 ADORA2A (0.39) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL25877803 0.79 TNKS (0.51) ADORA2ANUDT1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725138-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-08-15 US disclosed
US-11725138-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-08-15 US disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-11-10 US disclosed
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 US disclosed
US-20220045281-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-10 US disclosed
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed
US-20210305519-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-09-30 US disclosed
US-20210175433-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-06-10 US disclosed
US-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 US disclosed
US-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed
US-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 US disclosed
US-20170012217-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2017-01-12 US disclosed
US-20160336518-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2016-11-17 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 (9 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-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, SOD1, NECTIN4 ADORA2A 3346/4885NUDT1 610/4885CCNE2 490/4885
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM ADORA2A 139/4885NUDT1 31/4885CCNE2 2864/4885
US-20220045281-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, ICOSLG, OR10J3 ADORA2A 3936/4885NUDT1 431/4885CCNE2 723/4885
US-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 ADORA2A 4027/4885NUDT1 242/4885CCNE2 24/4885
US-11725138-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, ICOSLG, TRPM4 ADORA2A 3008/4885NUDT1 272/4885CCNE2 1151/4885
US-20210175433-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ICOSLG, TRPM4 ADORA2A 3008/4885NUDT1 272/4885CCNE2 1151/4885
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, OR10J3 ADORA2A 4022/4885NUDT1 352/4885CCNE2 888/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ADORA2A 4027/4885NUDT1 242/4885CCNE2 24/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ADORA2A 4027/4885NUDT1 242/4885CCNE2 24/4885

“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.