SCHEMBL25826379

SCHEMBL25826379

Cc1cc(Cc2cnc3[nH]c(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)nc4)nc3c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.35
▸ TNF P01375 1/20 0.32
▸ TCF4 P15884 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL25826368 0.90 KDR (0.43) KDRMAPKAPK2
SCHEMBL23999478 0.85 KDR (0.40) KDRTNFTCF4CTNNB1CCNB2
SCHEMBL30180305 0.85 KDR (0.40) KDRTNFTCF4CTNNB1CCNB2
SCHEMBL25826462 0.83 KDR (0.37) KDRTCF4CTNNB1AURKATLR9
SCHEMBL26310209 0.81 KDR (0.33) KDRTNFMAPKAPK2AURKATLR9
SCHEMBL30180637 0.79 KDR (0.45) KDRTCF4CTNNB1MAPKAPK2AURKA
SCHEMBL23999674 0.79 KDR (0.45) KDRTCF4CTNNB1MAPKAPK2AURKA
SCHEMBL30180266 0.77 KDR (0.39) KDRTNFTCF4CTNNB1AURKA
SCHEMBL23999443 0.77 KDR (0.39) KDRTNFTCF4CTNNB1AURKA
SCHEMBL23999658 0.76 KDR (0.41) KDRTCF4CTNNB1AURKA

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-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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDR 3271/4885TNF 4414/4885TCF4 2393/4885

“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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