SCHEMBL25820121

SCHEMBL25820121

CC(C)Cc1ccnc2ccc(N3CCCCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
IP6K1 Q92551 3/20 0.47
IP6K3 Q96PC2 1/20 0.45
HRH4 Q9H3N8 3/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TERT O14746 3/20 0.40
LNPEP Q9UIQ6 1/20 0.39
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
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
TNF P01375 1/20 0.38
CHKA P35790 1/20 0.37
MAPT P10636 1/20 0.37

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 0.99 IP6K1 (0.48) MAP4K4IP6K1IP6K3HRH4MEN1
SCHEMBL25820106 0.96 IP6K1 (0.45) MAP4K4IP6K1IP6K3HRH4MEN1
SCHEMBL25821153 0.88 PRKDC (0.43) IP6K1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25820161 0.87 HRH4 (0.51) HRH4MEN1GLAGAAKMT2A
SCHEMBL25820105 0.87 CLK1 (0.44) MEN1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL25820120 0.86 MEN1 (0.38) MAP4K4IP6K1IP6K3HRH4MEN1
SCHEMBL25820160 0.85 HRH4 (0.46) MAP4K4IP6K1HRH4MEN1GLA
SCHEMBL25820116 0.83 MEN1 (0.34) MAP4K4IP6K1IP6K3HRH4MEN1
SCHEMBL25820118 0.82 HRH4 (0.35) MAP4K4IP6K1IP6K3HRH4MEN1
SCHEMBL25820119 0.82 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 MAP4K4 323/4885IP6K1 186/4885IP6K3 40/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA MAP4K4 294/4885IP6K1 64/4885IP6K3 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.