SCHEMBL25820106

SCHEMBL25820106

CC(C)Cc1ccnc2ccc(N3CCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.45
MAP4K4 O95819 1/20 0.44
IP6K3 Q96PC2 1/20 0.43
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK8 P49336 3/20 0.37
TNF P01375 1/20 0.37
CCNC P24863 1/20 0.36
TERT O14746 3/20 0.36
LNPEP Q9UIQ6 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL25820104 0.97 IP6K1 (0.48) IP6K1MAP4K4IP6K3MEN1GLA
SCHEMBL25820121 0.96 MAP4K4 (0.49) IP6K1MAP4K4IP6K3MEN1GLA
SCHEMBL25821153 0.89 PRKDC (0.43) IP6K1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25820161 0.88 HRH4 (0.51) MEN1GLAGAAKMT2AHRH4
SCHEMBL25820105 0.88 CLK1 (0.44) MEN1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL25820120 0.87 MEN1 (0.38) IP6K1MAP4K4IP6K3MEN1GLA
SCHEMBL25820160 0.86 HRH4 (0.46) IP6K1MAP4K4MEN1GLAGAA
SCHEMBL25820116 0.84 MEN1 (0.34) IP6K1MAP4K4IP6K3MEN1GLA
SCHEMBL25820118 0.83 HRH4 (0.35) IP6K1MAP4K4IP6K3MEN1GLA
SCHEMBL25820119 0.83 F2RL1 (0.35) IP6K1MEN1GLAGAAKMT2A

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 186/4885MAP4K4 323/4885IP6K3 40/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IP6K1 64/4885MAP4K4 294/4885IP6K3 22/4885

“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.