SCHEMBL25820113

SCHEMBL25820113

CC(C)Cc1ccnc2ccc(-c3nnn[nH]3)cc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
DYRK1A Q13627 2/20 0.32
ROCK2 O75116 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
NTRK1 P04629 1/20 0.32
CDK1 P06493 1/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32

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
SCHEMBL25835494 0.76 RAF1 (0.40)
SCHEMBL25831338 0.76 LRRK2 (0.33)
SCHEMBL25820089 0.76 PIK3CA (0.51) AAK1DYRK1AMAP4K4CLK1
SCHEMBL24009995 0.75 MAPKAPK2 (0.39)
SCHEMBL11374284 0.72 KDM4E (0.39) ROCK2GSK3BDPP4
SCHEMBL25820095 0.72 HTR1A (0.51) ROCK2MAPK1TRPV1
SCHEMBL25820130 0.71 KDM4E (0.43) ROCK2MAPK1TRPV1
SCHEMBL25820075 0.71 CCNC (0.42) AAK1ROCK2TRPV1
SCHEMBL8251087 0.70 MEN1 (0.41)
SCHEMBL25146362 0.69 MEN1 (0.41)

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 AAK1 1644/4885DYRK1A 3180/4885ROCK2 1345/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA AAK1 1272/4885DYRK1A 3782/4885ROCK2 1486/4885

“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.