SCHEMBL20152504

SCHEMBL20152504

CC(C)c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
NUDT1 P36639 3/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE7A Q13946 2/20 0.46
PDE7B Q9NP56 2/20 0.46
DHODH Q02127 1/20 0.45
SCN9A Q15858 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL20152506 0.96 ADORA2A (0.55) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL21662103 0.91 ADORA2A (0.44) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL21662089 0.89 PDE7A (0.47) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL27319273 0.87 ATM (0.51) ALDH1A1MEN1KMT2AKDM4EATM
SCHEMBL19169482 0.87 ADORA2A (0.43) ADORA2ANUDT1ALDH1A1KDM4ENPSR1
SCHEMBL21662093 0.85 ADORA2A (0.46) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL27319272 0.83 MEN1 (0.50) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL24731785 0.83 MAOA (0.38) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL26813122 0.82 ADORA2A (0.45) ADORA2ANUDT1ALDH1A1MEN1KMT2A
SCHEMBL23920566 0.79 MAOA (0.40) ADORA2ANUDT1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-12-12 US disclosed
US-20220399506-A1 ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-15 US disclosed
US-20220393116-A1 ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 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-20210328154-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed
US-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-08-19 US disclosed
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 US disclosed
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
WO-2020027506-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-06 WO disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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 (10 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 610/4885ALDH1A1 533/4885
US-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 ADORA2A 3665/4885NUDT1 2347/4885ALDH1A1 227/4885
US-20220393116-A1 ELECTROLUMINESCENT DEVICE L1CAM, MCOLN2, MCOLN1 ADORA2A 4143/4885NUDT1 2290/4885ALDH1A1 761/4885
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 ADORA2A 3364/4885NUDT1 2879/4885ALDH1A1 569/4885
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 ADORA2A 3321/4885NUDT1 434/4885ALDH1A1 16/4885
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 ADORA2A 3633/4885NUDT1 2204/4885ALDH1A1 928/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 ADORA2A 3364/4885NUDT1 2879/4885ALDH1A1 569/4885
US-20220399506-A1 ELECTROLUMINESCENT DEVICE L1CAM, LDHA, LDHB ADORA2A 2912/4885NUDT1 2931/4885ALDH1A1 442/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 ADORA2A 3633/4885NUDT1 2204/4885ALDH1A1 928/4885
US-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 ADORA2A 2986/4885NUDT1 848/4885ALDH1A1 123/4885

“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.