SCHEMBL25826632

SCHEMBL25826632

CC(C)Oc1ccnc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
IRAK4 Q9NWZ3 5/20 0.40
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL29398246 0.86 IRAK4 (0.42) IRAK4GSK3AGSK3BCCNT1CCNA2
SCHEMBL24011308 0.82 CCNC (0.50) CCNCCDK8CYP3A4
SCHEMBL12282776 0.79 MAPT (0.47) IRAK4AAK1
SCHEMBL5682821 0.75 MCHR1 (0.41) IRAK4
SCHEMBL2621791 0.73 GAK (0.46) CCNCCDK8IRAK4AAK1SLC22A12
SCHEMBL13409355 0.73 IDO1 (0.50) CCNCCDK8IRAK4AAK1IDO1
SCHEMBL12120599 0.73 RPS6KA3 (0.38) CCNCCDK8GSK3BAAK1SLC22A12
SCHEMBL4072595 0.72 NOTUM (0.37) GSK3AGSK3BCCNT1CCNA2CDK2
SCHEMBL4590870 0.72 CCR1 (0.45) IRAK4LRRK2CCNT1CCNA2CDK2
SCHEMBL25826719 0.71 DOT1L (0.48) IRAK4CYP3A4

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CCNC 821/4885CDK8 567/4885IRAK4 1748/4885

“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.