SCHEMBL25825849

SCHEMBL25825849

CC(C)Cc1ccnc2ncc(N3CCC(N)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 1/20 0.35
ACVR1 Q04771 2/20 0.35
AKT2 P31751 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PIM1 P11309 3/20 0.35
DKK1 O94907 1/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK2 Q16620 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL25820160 0.82 HRH4 (0.46) HRH4HRH3HTR6ACVR1AKT2
SCHEMBL25820104 0.68 IP6K1 (0.48) HRH4
SCHEMBL25820106 0.68 IP6K1 (0.45) HRH4
SCHEMBL25820121 0.67 MAP4K4 (0.49) HRH4
SCHEMBL25820118 0.65 HRH4 (0.35) HRH4HTR6ACVR1HTR2AHTR2C
SCHEMBL25820161 0.65 HRH4 (0.51) HRH4ACVR1HTR2AHTR2CHTR2B
SCHEMBL25820105 0.65 CLK1 (0.44) ACVR1
SCHEMBL21266987 0.65 HRH3 (0.43) HRH4HRH3HTR6ACVR1AKT2
SCHEMBL24292895 0.65 GABRA1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL25825845 0.64 MET (0.49) HRH4ACVR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2074/4885JAK2 316/4885JAK1 1027/4885

“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.