SCHEMBL25835223

SCHEMBL25835223

CCC(CC)Oc1ccnc2ccc(N)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 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
SCHEMBL24010756 0.79 DOT1L (0.48) KDM4EALDH1A1TP53HSP90AA1HSP90AB1
SCHEMBL25399501 0.78 ALDH1A1 (0.44) SLC22A12KDM4EALDH1A1TP53HSP90AA1
SCHEMBL25399497 0.78 ALDH1A1 (0.44) SLC22A12KDM4EALDH1A1TP53HSP90AA1
SCHEMBL19711772 0.77 PDGFRB (0.54) EGFR
SCHEMBL22566438 0.75 PDGFRB (0.55) EGFR
SCHEMBL16549305 0.71 PARP1 (0.45) SLC22A12KDM4EALDH1A1TP53HSP90AA1
SCHEMBL4644505 0.69 SMN1; SMN2 (0.51) SLC22A12KDM4EALDH1A1TP53HSP90AA1
SCHEMBL25846078 0.69 ROCK2 (0.50) SLC22A12KDM4ELMNAROCK2
SCHEMBL30210360 0.68 NR4A2 (0.66) SLC22A12KDM4EALDH1A1TP53HSP90AA1
SCHEMBL4823097 0.68 NR4A2 (0.66) SLC22A12KDM4EALDH1A1TP53HSP90AA1

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 MCHR1 4490/4885IDO1 3198/4885SLC22A12 3664/4885

“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.

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