SCHEMBL25825570

SCHEMBL25825570

CC(C)c1ccc(-c2cn(C(C)C)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
ESRRG P62508 1/20 0.45
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
S1PR1 P21453 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 1/20 0.39
LRRK2 Q5S007 7/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP3 P42574 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
SCHEMBL25898935 0.98 CYP19A1 (0.47) CYP19A1ESRRGCA2CA9S1PR1
SCHEMBL12377326 0.86 PTGS2 (0.46) CYP19A1CA2CA9NPC1RAB9A
SCHEMBL11965518 0.84 FLT3 (0.46) CYP19A1CA2CA9NPC1RAB9A
SCHEMBL9729950 0.82 PTGS2 (0.46) CYP19A1CA2CA9NPC1RAB9A
SCHEMBL12377290 0.82 CYP19A1 (0.62) CYP19A1CA2CA9NPC1RAB9A
SCHEMBL9963176 0.81 CYP19A1 (0.66) CYP19A1CA2CA9NPC1RAB9A
SCHEMBL25820297 0.80 CYP19A1 (0.51) CYP19A1ESRRGLRRK2
SCHEMBL23329321 0.80 ESRRG (0.46) CYP19A1ESRRGS1PR1NPC1RAB9A
SCHEMBL16406113 0.79 CYP19A1 (0.42) CYP19A1CA2CA9LRRK2
SCHEMBL21286180 0.79 CYP19A1 (0.42) CYP19A1RAB9ATP53KDM4EHPGD

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (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 CYP19A1 731/4885ESRRG 714/4885CA2 3030/4885

“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.