SCHEMBL25820089

SCHEMBL25820089

CC(C)Cc1ccnc2ccc(-c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.51
MAPKAPK2 P49137 5/20 0.48
MAP4K4 O95819 2/20 0.44
CAMKK2 Q96RR4 2/20 0.41
SGK1 O00141 1/20 0.41
ALK Q9UM73 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CYP19A1 P11511 1/20 0.39
TRIM58 Q8NG06 1/20 0.38
CLK1 P49759 3/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
MAPK10 P53779 1/20 0.38
DYRK1A Q13627 2/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL2494065 0.81 LOXL2 (0.58) LOXL2AAK1
SCHEMBL25820095 0.78 HTR1A (0.51) LOXL2CYP19A1
SCHEMBL25820075 0.77 CCNC (0.42) AAK1
SCHEMBL25820130 0.77 KDM4E (0.43) LOXL2
SCHEMBL25820113 0.76 AAK1 (0.32) MAP4K4CLK1DYRK1AAAK1
SCHEMBL25820138 0.75 TRPV1 (0.45)
SCHEMBL25820094 0.75 SLC22A12 (0.42) LOXL2CYP19A1DYRK1A
SCHEMBL25820108 0.75 IP6K1 (0.43) LOXL2
SCHEMBL8677931 0.74 PIK3CA (0.59) PIK3CAMAPKAPK2MAP4K4ALKTRIM58
SCHEMBL24026944 0.74 TRIM58 (0.40) PIK3CAMAP4K4CAMKK2SGK1TRIM58

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 PIK3CA 7/4885MAPKAPK2 138/4885MAP4K4 323/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PIK3CA 3/4885MAPKAPK2 136/4885MAP4K4 294/4885

“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.