SCHEMBL25820118

SCHEMBL25820118

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.35
ACACB O00763 1/20 0.35
IP6K1 Q92551 2/20 0.34
IP6K3 Q96PC2 1/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ACVR1 Q04771 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTR2B P41595 2/20 0.32
ROCK2 O75116 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 0.85 TDP1 (0.44) ACACBIP6K1IP6K3RETKDR
SCHEMBL25820165 0.84 IP6K1 (0.35) HRH4ACACBIP6K1IP6K3RET
SCHEMBL25820116 0.84 MEN1 (0.34) HRH4ACACBIP6K1IP6K3MEN1
SCHEMBL25820104 0.83 IP6K1 (0.48) HRH4IP6K1IP6K3CDK8MEN1
SCHEMBL25820106 0.83 IP6K1 (0.45) HRH4IP6K1IP6K3CDK8MEN1
SCHEMBL25820160 0.83 HRH4 (0.46) HRH4IP6K1ACVR1MEN1GLA
SCHEMBL25820121 0.82 MAP4K4 (0.49) HRH4IP6K1IP6K3CDK8MEN1
SCHEMBL25820120 0.81 MEN1 (0.38) HRH4IP6K1IP6K3MEN1GLA
SCHEMBL25820105 0.80 CLK1 (0.44) CDK8ACVR1MEN1KMT2AKDM4E
SCHEMBL25820161 0.80 HRH4 (0.51) HRH4ACVR1MEN1GLAGAA

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 HRH4 2074/4885ACACB 475/4885IP6K1 186/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HRH4 2350/4885ACACB 497/4885IP6K1 64/4885

“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.