SCHEMBL25835494

SCHEMBL25835494

COc1ccnc2ccc(-c3nnn[nH]3)cc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.40
BRAF P15056 7/20 0.40
DOT1L Q8TEK3 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MET P08581 1/20 0.37
FGFR2 P21802 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
SCHEMBL25831338 0.83 LRRK2 (0.33)
SCHEMBL24009995 0.80 MAPKAPK2 (0.39) RAF1BRAF
SCHEMBL187940 0.77 ALDH1A1 (0.54)
SCHEMBL25820113 0.76 AAK1 (0.32)
SCHEMBL6608296 0.75 GRK6 (0.45) PDGFRBPDGFRA
SCHEMBL6789801 0.75 DHFR (0.44)
SCHEMBL8258446 0.74 PDE4A (0.48)
SCHEMBL1250505 0.74 NOX1 (0.49)
SCHEMBL3044550 0.74 HSD17B10 (0.47)
SCHEMBL705661 0.74 MAPT (0.49)

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAF1 227/4885BRAF 252/4885DOT1L 3878/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAF1 203/4885BRAF 231/4885DOT1L 4010/4885

“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.