SCHEMBL25820308

SCHEMBL25820308

CC(C)c1cccc(-c2cn(C(C)C)nn2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
LRRK2 Q5S007 7/20 0.34
TGFBR1 P36897 6/20 0.33
TACR3 P29371 1/20 0.32
DYRK1A Q13627 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
THRB P10828 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL25832880 0.85 CYP19A1 (0.32) CYP19A1TGFBR1
SCHEMBL17108201 0.84 CYP19A1 (0.35) CYP19A1LRRK2CCR1CCR8
SCHEMBL25847282 0.82 BRD4 (0.38) TGFBR1TACR3CCR1CCR8
SCHEMBL17108199 0.82 CCR1 (0.53) CYP19A1LRRK2TGFBR1CCR1CCR8
SCHEMBL12922238 0.78 CCR1 (0.46) TGFBR1TACR3CCR1CCR8THRB
SCHEMBL17108200 0.78 BTK (0.42) TGFBR1
SCHEMBL15980637 0.74 CYP19A1 (0.56) CYP19A1DYRK1AIRAK4
SCHEMBL17108202 0.73 FLT3 (0.54) CYP19A1CCR1CCR8
SCHEMBL2621618 0.70 IDO1 (0.37)
SCHEMBL9963176 0.70 CYP19A1 (0.66) CYP19A1

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-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 602/4885LRRK2 820/4885TGFBR1 1670/4885

“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.