SCHEMBL25827896

SCHEMBL25827896

Cc1cc(Nc2cnc3nc(-c4cccc(Nc5cc(C)nc6ccc(C#N)cc56)c4)[nH]c3c2)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.40
▸ KDR P35968 5/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ KIT P10721 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ ACP1 P24666 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MET P08581 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ABCB1 P08183 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
SCHEMBL24010185 0.94 KDR (0.41) GSK3BKDRABCG2KITTSHR
SCHEMBL24010184 0.87 KDR (0.49) GSK3BKDRKITBRAF
SCHEMBL24010272 0.86 LRRK2 (0.38) GSK3BKDRKITCSNK1A1CSNK1D
SCHEMBL24006251 0.82 KDR (0.46) GSK3BKDRKITBRAF
SCHEMBL24010187 0.79 MAPKAPK2 (0.43) KDRKITBRAF
SCHEMBL24010188 0.77 ABCG2 (0.41) GSK3BKDRABCG2KITACP1
SCHEMBL23999402 0.74 MAPKAPK2 (0.43) GSK3BKDRABCG2CSNK1A1CSNK1D
SCHEMBL23999403 0.73 LRRK2 (0.43) GSK3BKDRABCG2CSNK1A1CSNK1D
SCHEMBL23999408 0.72 MAPKAPK2 (0.49) GSK3BKDRCSNK1A1CSNK1DCSNK1G2
SCHEMBL24006108 0.71 KDR (0.58) GSK3BKDRCSNK1A1CSNK1DCSNK1G2

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 GSK3B 50/4885KDR 2851/4885ABCG2 2307/4885

“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.

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