SCHEMBL21662089

SCHEMBL21662089

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.47
PDE7B Q9NP56 3/20 0.47
ADORA2A P29274 5/20 0.46
NUDT1 P36639 3/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ATM Q13315 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
SCHEMBL21662093 0.93 ADORA2A (0.46) PDE7APDE7BADORA2ANUDT1AURKA
SCHEMBL20152504 0.89 ADORA2A (0.51) PDE7APDE7BADORA2ANUDT1MAPT
SCHEMBL20152506 0.89 ADORA2A (0.55) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL21662103 0.86 ADORA2A (0.44) PDE7APDE7BADORA2ANUDT1AURKA
SCHEMBL19169482 0.86 ADORA2A (0.43) PDE7APDE7BADORA2ANUDT1AURKA
SCHEMBL23874806 0.84 PDE7A (0.41) PDE7APDE7BADORA2AAURKAAURKB
SCHEMBL20035173 0.83 ADORA2A (0.66) ADORA2AMAPTMEN1KMT2AKDM4E
SCHEMBL26813122 0.81 ADORA2A (0.45) PDE7APDE7BADORA2ANUDT1AURKA
SCHEMBL27319273 0.80 ATM (0.51) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL20160859 0.80 HSP90AA1 (0.46) PDE7APDE7BADORA2ANUDT1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 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
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

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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM PDE7A 940/4885PDE7B 1395/4885ADORA2A 139/4885
US-20220393116-A1 ELECTROLUMINESCENT DEVICE L1CAM, MCOLN2, MCOLN1 PDE7A 4756/4885PDE7B 4794/4885ADORA2A 4143/4885
US-20220173330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, OR10J3 PDE7A 3889/4885PDE7B 3272/4885ADORA2A 4022/4885
US-20220399506-A1 ELECTROLUMINESCENT DEVICE L1CAM, LDHA, LDHB PDE7A 4087/4885PDE7B 4155/4885ADORA2A 2912/4885
US-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 PDE7A 4577/4885PDE7B 2343/4885ADORA2A 2986/4885

“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.