SCHEMBL25849444

SCHEMBL25849444

COc1ccnc2ccc(N3CC(C)OC(C)C3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.42
GAK O14976 8/20 0.41
DOT1L Q8TEK3 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
KIT P10721 1/20 0.39
LRRK2 Q5S007 4/20 0.39

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
SCHEMBL26317973 0.90 KDM4E (0.40) KMT2ATDP1RAB9AMAPTTSHR
SCHEMBL26318318 0.88 DOT1L (0.43) KMT2AMAPTDOT1LMEN1
SCHEMBL26329863 0.86 LRRK2 (0.44) GAKLRRK2
SCHEMBL26318011 0.86 DOT1L (0.40) GAKDOT1LLRRK2
SCHEMBL24004020 0.84 DOT1L (0.42) GAKDOT1L
SCHEMBL23999827 0.83 KMT2A (0.54) KMT2ATDP1RAB9AMAPTTSHR
SCHEMBL24004017 0.82 TSHR (0.60) KMT2ATDP1RAB9AMAPTTSHR
SCHEMBL24532303 0.80 TDP1 (0.45) KMT2ATDP1RAB9AMAPTTSHR
SCHEMBL25491134 0.79 ALDH1A1 (0.56) KMT2AMAPTKDM4EHPGDDOT1L
SCHEMBL24006371 0.79 ALDH1A1 (0.52) KMT2AMAPTKDM4EHPGDDOT1L

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KMT2A 3925/4885TDP1 3763/4885RAB9A 1430/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KMT2A 3974/4885TDP1 3836/4885RAB9A 1375/4885

“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.