SCHEMBL25825585

SCHEMBL25825585

CC(C)c1nc2ccc(C(C)(C)C)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.38
AHR P35869 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP11B2 P19099 1/20 0.32
SCN5A Q14524 1/20 0.31
MAP3K5 Q99683 1/20 0.31
DYRK1A Q13627 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1G2 P78368 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20094507 0.85 AHR (0.44) NAMPTAHRSCN5ANPC1ALDH1A1
SCHEMBL798670 0.81 NAMPT (0.43) NAMPTAHRDYRK1ANPC1ALDH1A1
SCHEMBL22790591 0.77 SCN10A (0.38) SCN10AAHRCYP11B2SCN5AMAP3K5
SCHEMBL15294468 0.77 DYRK1A (0.36) SCN10AAHRTMEM97SIGMAR1CYP11B2
SCHEMBL20088501 0.77 NAMPT (0.43) NAMPTAHRDYRK1ACSNK1DNPC1
SCHEMBL10220047 0.76 AHR (0.47) NAMPTAHRNPC1ALDH1A1RAB9A
SCHEMBL20759311 0.76 LMNA (0.38) SCN10AAHRCYP11B2SCN5AMAP3K5
SCHEMBL21929912 0.76 AHR (0.53) NAMPTAHRDYRK1ANPC1ALDH1A1
SCHEMBL25825583 0.75 PDE10A (0.32) NAMPTAHR
SCHEMBL6900236 0.68 JAK2 (0.46) NAMPTCYP11B2NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NAMPT 1325/4885SCN10A 2866/4885AHR 4252/4885

“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.