SCHEMBL25820123

SCHEMBL25820123

CC(C)Cc1ccnc2ccc(N3CC4(COC4)C3)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.34
KDR P35968 2/20 0.34
CHRM4 P08173 1/20 0.34
RET P07949 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IDH1 O75874 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
RORC P51449 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SOS1 Q07889 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL25820122 0.86 HRH4 (0.33) MEN1GLAGAAKMT2AKDM4E
SCHEMBL25820116 0.85 MEN1 (0.34) MAPKAPK2MEN1GLAGAAKMT2A
SCHEMBL25821148 0.83 MAPT (0.34) ACVR1CHRM4RORCMEN1KMT2A
SCHEMBL25820105 0.82 CLK1 (0.44) ACVR1CDK8MAPKAPK2MEN1KMT2A
SCHEMBL25820106 0.80 IP6K1 (0.45) CDK8MEN1GLAGAAKMT2A
SCHEMBL25820104 0.80 IP6K1 (0.48) CDK8MEN1GLAGAAKMT2A
SCHEMBL25820121 0.79 MAP4K4 (0.49) CDK8MEN1GLAGAAKMT2A
SCHEMBL25820119 0.79 F2RL1 (0.35) IDH1IRAK4MEN1GLAGAA
SCHEMBL25826722 0.79 IRAK4 (0.43) ACVR1KDRCHRM4RETCSNK1A1
SCHEMBL26311820 0.78 GAK (0.40) ACVR1KDRCHRM4RETCSNK1A1

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 ACVR1 1635/4885KDR 3271/4885CHRM4 4638/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ACVR1 1556/4885KDR 2851/4885CHRM4 4284/4885

“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.