SCHEMBL25820151

SCHEMBL25820151

CC(C)Cc1ccnc2ccc(N3CC(C)OC(C)C3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
LRRK2 Q5S007 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.35
WNT3A P56704 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
KDR P35968 2/20 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
ACVR1 Q04771 1/20 0.34

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
SCHEMBL25820165 0.87 IP6K1 (0.35) KMT2ALRRK2GAAKDRRET
SCHEMBL25820149 0.86 LRRK2 (0.39) LRRK2
SCHEMBL25820118 0.85 HRH4 (0.35) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL25820144 0.82 NPSR1 (0.48) TDP1KMT2AMAPTRAB9AKDM4E
SCHEMBL25820104 0.81 IP6K1 (0.48) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL25820106 0.81 IP6K1 (0.45) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL25820105 0.81 CLK1 (0.44) TDP1KMT2AMAPTRAB9AKDM4E
SCHEMBL25820121 0.80 MAP4K4 (0.49) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL25820116 0.79 MEN1 (0.34) KMT2AKDM4ELRRK2ALDH1A1GAA
SCHEMBL23999827 0.79 KMT2A (0.54) TDP1KMT2AMAPTRAB9AKDM4E

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 TDP1 3836/4885KMT2A 3974/4885MAPT 3999/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TDP1 3067/4885KMT2A 4131/4885MAPT 3976/4885

“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.