SCHEMBL25820297

SCHEMBL25820297

CC(C)c1cccc(-c2cn(C(C)C)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LRRK2 Q5S007 5/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ESRRG P62508 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PTPN5 P54829 2/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL19697583 0.83 CA2 (0.48) CYP19A1SRC
SCHEMBL29980249 0.81 TEK (0.45) CYP19A1LRRK2
SCHEMBL22050888 0.81 CHRNB2 (0.46) CYP19A1LRRK2
SCHEMBL21286181 0.81 KDR (0.45) CYP19A1
SCHEMBL27088365 0.81 TEK (0.45) CYP19A1LRRK2
SCHEMBL25825570 0.80 CYP19A1 (0.49) CYP19A1LRRK2ESRRG
SCHEMBL19449446 0.80 CHRNB2 (0.51)
SCHEMBL9963176 0.80 CYP19A1 (0.66) CYP19A1
SCHEMBL25832827 0.79 CYP19A1 (0.39) CYP19A1CTSSCTSKRXRARXRB
SCHEMBL25898935 0.79 CYP19A1 (0.47) CYP19A1LRRK2ESRRG

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CYP19A1 602/4885CTSS 3415/4885CTSK 2857/4885

“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.