SCHEMBL25820105

SCHEMBL25820105

CC(C)Cc1ccnc2ccc(N3CCOCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.42
SLC2A1 P11166 1/20 0.41
MAPK10 P53779 1/20 0.41
BMPR1B O00238 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL25821153 0.95 PRKDC (0.43) CLK1DYRK1AMAPKAPK2CCNCCDK8
SCHEMBL25820106 0.88 IP6K1 (0.45) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL25820104 0.88 IP6K1 (0.48) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL25820121 0.87 MAP4K4 (0.49) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL25820161 0.85 HRH4 (0.51) MEN1KMT2ATGFBR1ACVR1
SCHEMBL25820120 0.84 MEN1 (0.38) CLK1DYRK1AMAPKAPK2KDM4EALDH1A1
SCHEMBL25820148 0.84 LATS1 (0.38) CLK1DYRK1ALRRK2MEN1KMT2A
SCHEMBL25820149 0.84 LRRK2 (0.39) LRRK2
SCHEMBL25820160 0.83 HRH4 (0.46) KDM4EALDH1A1MEN1KMT2AACVR1
SCHEMBL25820116 0.81 MEN1 (0.34) CLK1DYRK1AMAPKAPK2LRRK2KDM4E

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 CLK1 727/4885DYRK1A 3180/4885MAPKAPK2 138/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CLK1 1304/4885DYRK1A 3782/4885MAPKAPK2 136/4885

“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.