SCHEMBL26318318

SCHEMBL26318318

COc1ccnc2ccc(N3CC(C)C3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.43
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NCF1 P14598 2/20 0.39
MAPT P10636 1/20 0.38
DPP4 P27487 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE1B Q01064 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NTSR1 P30989 1/20 0.36

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
SCHEMBL25849444 0.88 KMT2A (0.47) DOT1LMAPTMEN1KMT2A
SCHEMBL24004020 0.87 DOT1L (0.42) DOT1LPDGFRBPDGFRANCF1DPP4
SCHEMBL26318011 0.84 DOT1L (0.40) DOT1LPDGFRBPDGFRANCF1DPP4
SCHEMBL24006371 0.82 ALDH1A1 (0.52) DOT1LNCF1MAPTIP6K1IP6K3
SCHEMBL25491134 0.82 ALDH1A1 (0.56) DOT1LNCF1MAPTIP6K1IP6K3
SCHEMBL26329863 0.82 LRRK2 (0.44)
SCHEMBL25831270 0.81 ALDH1A1 (0.55) DOT1LNCF1MAPTIP6K1IP6K3
SCHEMBL26317973 0.81 KDM4E (0.40) DOT1LMAPTPDE1BMEN1KMT2A
SCHEMBL24006254 0.79 MET (0.43) DOT1LPDGFRBPDGFRANCF1ALDH1A1
SCHEMBL24005893 0.79 CCNC (0.55) MAPTALDH1A1MEN1KMT2A

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR DOT1L 3878/4885PDGFRB 996/4885PDGFRA 1449/4885

“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.