SCHEMBL21662093

SCHEMBL21662093

CC(C)c1nc(-c2cccc(-c3ccc4ccccc4c3)c2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
PDE7A Q13946 2/20 0.45
PDE7B Q9NP56 2/20 0.45
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ADORA1 P30542 1/20 0.41
NUDT1 P36639 3/20 0.41
SCN9A Q15858 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL19169482 0.94 ADORA2A (0.43) ADORA2APDE7APDE7BADORA1NUDT1
SCHEMBL21662089 0.93 PDE7A (0.47) ADORA2APDE7APDE7BNUDT1AURKA
SCHEMBL21662103 0.91 ADORA2A (0.44) ADORA2APDE7APDE7BADORA1NUDT1
SCHEMBL20152504 0.85 ADORA2A (0.51) ADORA2APDE7APDE7BNUDT1SCN9A
SCHEMBL20152506 0.85 ADORA2A (0.55) ADORA2ANUDT1KDM4EMEN1KMT2A
SCHEMBL1755445 0.81 KDM4E (0.57) ADORA2AHSD17B1HSD17B2ADORA1NUDT1
SCHEMBL23874806 0.81 PDE7A (0.41) ADORA2APDE7APDE7BAURKAAURKB
SCHEMBL20035173 0.80 ADORA2A (0.66) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL24702665 0.78 MAPT (0.41) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL20160861 0.78 HSP90AA1 (0.39) ADORA2APDE7APDE7BSCN9ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 ADORA2A 2986/4885PDE7A 4577/4885PDE7B 2343/4885

“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.