SCHEMBL25821192

SCHEMBL25821192

CC(C)Cc1ccnc2ccc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.45
CCNC P24863 3/20 0.45
GAK O14976 2/20 0.43
RIPK2 O43353 2/20 0.43
COQ8A Q8NI60 2/20 0.43
NLK Q9UBE8 2/20 0.43
PDE5A O76074 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
GSK3B P49841 1/20 0.37
PRKDC P78527 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL25820092 0.85 GABRA1 (0.34) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL25821117 0.84 CDK8 (0.38) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL25820090 0.83 TRPV1 (0.38) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL25821116 0.80 MAP3K14 (0.38) CDK8GAKRIPK2COQ8ANLK
SCHEMBL25820095 0.78 HTR1A (0.51) SLC22A12IRAK4
SCHEMBL3400497 0.78 CDK8 (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL21138128 0.77 GAK (0.46) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL25820130 0.77 KDM4E (0.43) SLC22A12ATM
SCHEMBL25820075 0.77 CCNC (0.42) CDK8CCNCGAKAAK1
SCHEMBL3400496 0.75 GAK (0.44) CDK8CCNCGAKRIPK2COQ8A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CDK8 567/4885CCNC 821/4885GAK 505/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CDK8 385/4885CCNC 491/4885GAK 493/4885

“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.