SCHEMBL25820108

SCHEMBL25820108

CC(C)Cc1ccnc2ccc(N(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.43
ADK P55263 1/20 0.41
PSMB5 P28074 1/20 0.37
DOT1L Q8TEK3 1/20 0.36
EGFR P00533 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TERT O14746 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
SCHEMBL25820095 0.80 HTR1A (0.51) ALDH1A1LMNAMAPK1TRPV1KDM4E
SCHEMBL25820130 0.78 KDM4E (0.43) EGFRALDH1A1MEN1TP53MAPK1
SCHEMBL25820075 0.78 CCNC (0.42) TRPV1ROCK2
SCHEMBL25820101 0.78 PDE3B (0.44) IP6K1ADKPSMB5EGFRALDH1A1
SCHEMBL25820107 0.77 ADK (0.38) ADKELANE
SCHEMBL25820094 0.76 SLC22A12 (0.42) TRPV1ROCK2LOXL2
SCHEMBL2494065 0.75 LOXL2 (0.58) ALDH1A1LMNACYP1A2CYP3A4ELANE
SCHEMBL25820092 0.75 GABRA1 (0.34) EGFRTRPV1ROCK2LOXL2
SCHEMBL25820089 0.75 PIK3CA (0.51) LOXL2
SCHEMBL25821192 0.75 CDK8 (0.45) GSK3B

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 IP6K1 186/4885ADK 1235/4885PSMB5 2044/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IP6K1 64/4885ADK 1021/4885PSMB5 2643/4885

“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.