SCHEMBL25820165

SCHEMBL25820165

CC(C)Cc1ccnc2ccc(N3CC4CCC(C3)O4)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
RET P07949 1/20 0.34
KDR P35968 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
ACVR1 Q04771 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IDH1 O75874 5/20 0.33
HRH4 Q9H3N8 3/20 0.33
LRRK2 Q5S007 3/20 0.33
ACACB O00763 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PIK3CD O00329 1/20 0.33
MTOR P42345 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
SCHEMBL25820151 0.87 TDP1 (0.44) IP6K1IP6K3RETKDRCSNK1A1
SCHEMBL25820118 0.84 HRH4 (0.35) IP6K1IP6K3RETKDRCSNK1A1
SCHEMBL25820157 0.83 TSHR (0.35) PIK3CDMTORMAP3K7
SCHEMBL25820104 0.80 IP6K1 (0.48) IP6K1IP6K3CDK8HRH4MEN1
SCHEMBL25820106 0.80 IP6K1 (0.45) IP6K1IP6K3CDK8HRH4MEN1
SCHEMBL25820160 0.80 HRH4 (0.46) IP6K1ACVR1HRH4HTR2BMEN1
SCHEMBL25820105 0.80 CLK1 (0.44) CDK8ACVR1LRRK2PIK3CDMEN1
SCHEMBL25820121 0.79 MAP4K4 (0.49) IP6K1IP6K3CDK8HRH4MEN1
SCHEMBL26318011 0.78 DOT1L (0.40) IP6K1IP6K3IDH1LRRK2MTOR
SCHEMBL25820116 0.78 MEN1 (0.34) IP6K1IP6K3HRH4LRRK2ACACB

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 IP6K1 186/4885IP6K3 40/4885RET 1793/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IP6K1 64/4885IP6K3 22/4885RET 1440/4885

“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.