SCHEMBL13243227

SCHEMBL13243227

CCC(C)(C)c1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 7/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 7/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GAA P10253 2/20 0.44
PDE10A Q9Y233 1/20 0.42
MAPK1 P28482 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
ATM Q13315 2/20 0.42
TLR9 Q9NR96 2/20 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
SCHEMBL13222016 0.82 AKT1 (0.56) AKT1AKT2TDP1KDM4EPKM
SCHEMBL21998533 0.81 AKT1 (0.66) AKT1AKT2TDP1KDM4EPKM
SCHEMBL19162664 0.79 AKT1 (0.57) AKT1AKT2TDP1KDM4EPKM
SCHEMBL13439269 0.78 MAPT (0.39) AKT1AKT2TDP1KDM4EL3MBTL1
SCHEMBL15134436 0.78 L3MBTL1 (0.51) AKT1AKT2TDP1KDM4EPKM
SCHEMBL18869688 0.75 GPR3 (0.47) TDP1KDM4EALDH1A1KMT2AGAA
SCHEMBL14127894 0.75 KDM4E (0.41) KDM4EPKML3MBTL1ALDH1A1LMNA
SCHEMBL12146712 0.74 AKT1 (0.49) AKT1AKT2TDP1KDM4EPKM
SCHEMBL12146718 0.74 AKT1 (0.49) AKT1AKT2TDP1KDM4EPKM
SCHEMBL3588444 0.73 HPGD (0.53) AKT1AKT2TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10263193-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-04-16 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 (2 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-10263193-B2 Heterocyclic compound and organic light-emitting element using same CRY1, NFE2L2, CRY2 AKT1 3753/4885AKT2 4116/4885TDP1 3618/4885
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 AKT1 3181/4885AKT2 3949/4885TDP1 4123/4885

“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.