SCHEMBL25830886

SCHEMBL25830886

CCC(C)Oc1ccnc2ccc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.46
RIPK2 O43353 2/20 0.46
COQ8A Q8NI60 2/20 0.46
NLK Q9UBE8 2/20 0.46
PDE5A O76074 2/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
GSK3B P49841 1/20 0.39
PRKDC P78527 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
IDO1 P14902 1/20 0.39
NR3C1 P04150 1/20 0.37
ICMT O60725 3/20 0.36

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
SCHEMBL24010750 0.80 GAK (0.64) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL25846078 0.78 ROCK2 (0.50) GAKRIPK2COQ8ANLKSLC22A12
SCHEMBL25827570 0.76 LOXL2 (0.42) AAK1
SCHEMBL23999791 0.76 GAK (0.49) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL25830778 0.75 KDM5A (0.44) IDO1
SCHEMBL25830987 0.75 GAK (0.46) GAKRIPK2KDRIDO1AAK1
SCHEMBL25846276 0.75 SLC2A1 (0.43) IDO1
SCHEMBL21138128 0.73 GAK (0.46) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL25821192 0.72 CDK8 (0.45) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL31432137 0.72 TRPV4 (0.38) ICMT

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GAK 493/4885RIPK2 830/4885COQ8A 296/4885

“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.