SCHEMBL13222016

SCHEMBL13222016

CC(C)(C)c1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
AKT2 P31751 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 6/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE10A Q9Y233 2/20 0.47
HRH4 Q9H3N8 1/20 0.44
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL19162664 0.96 AKT1 (0.57) AKT1AKT2TDP1KDM4EPKM
SCHEMBL23473633 0.88 AKT1 (0.45) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12146718 0.87 AKT1 (0.49) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12146712 0.87 AKT1 (0.49) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12132910 0.85 MAPT (0.53) AKT1AKT2TDP1KDM4EL3MBTL1
SCHEMBL12146729 0.85 AKT1 (0.46) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12207331 0.85 AKT1 (0.46) AKT1AKT2TDP1KDM4EPKM
SCHEMBL6724670 0.85 AKT1 (0.46) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12721828 0.84 NPC1 (0.49) AKT1AKT2TDP1KDM4EL3MBTL1
SCHEMBL13726612 0.84 MAPK14 (0.56) AKT1AKT2TDP1KDM4EL3MBTL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 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-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-11723271-B2 Organic compound, and electronic component and electronic device therefor SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-11723271-B2 Organic compound, and electronic component and electronic device therefor SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 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-20160240793-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-18 US disclosed
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-9133115-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 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 (12 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 AKT1 2081/4885AKT2 2969/4885TDP1 559/4885
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 AKT1 4529/4885AKT2 4722/4885TDP1 3616/4885
US-11723271-B2 Organic compound, and electronic component and electronic device therefor OR51E2, CYP4F11, OR10J3 AKT1 597/4885AKT2 1295/4885TDP1 4040/4885
US-20160240793-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 AKT1 4529/4885AKT2 4722/4885TDP1 3616/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L AKT1 3123/4885AKT2 3950/4885TDP1 4156/4885
US-11725138-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, ICOSLG, TRPM4 AKT1 3325/4885AKT2 3938/4885TDP1 968/4885
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 AKT1 3181/4885AKT2 3949/4885TDP1 4123/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC AKT1 4801/4885AKT2 4805/4885TDP1 3544/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 AKT1 1371/4885AKT2 2553/4885TDP1 4220/4885
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 AKT1 4529/4885AKT2 4722/4885TDP1 3616/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 AKT1 3505/4885AKT2 4391/4885TDP1 2656/4885
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 AKT1 4529/4885AKT2 4722/4885TDP1 3616/4885

“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.