SCHEMBL26310209

SCHEMBL26310209

CC(=O)N(c1ccnc(C)c1)c1cnc2[nH]c(-c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.33
▸ PORCN Q9H237 1/20 0.32
▸ AURKA O14965 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ TNF P01375 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ MAPKAPK2 P49137 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
SCHEMBL26310194 0.91 KDR (0.41) KDRBRAFMAPKAPK2
SCHEMBL23999942 0.87 MAPKAPK2 (0.34) SIRT2SIRT1TNFMAPKAPK2
SCHEMBL23999524 0.85 KDR (0.34) KDRMAPKAPK2
SCHEMBL30180305 0.83 KDR (0.40) KDRTNFMAPK10MAPKAPK2
SCHEMBL23999478 0.83 KDR (0.40) KDRTNFMAPK10MAPKAPK2
SCHEMBL25826379 0.81 KDR (0.35) KDRAURKATLR8TLR7TLR9
SCHEMBL23999907 0.78 MAPKAPK2 (0.42) KDRMAPKAPK2
SCHEMBL23999518 0.76 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL30180637 0.76 KDR (0.45) KDRAURKAMAPKAPK2
SCHEMBL23999674 0.76 KDR (0.45) KDRAURKAMAPKAPK2

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDR 3433/4885PORCN 3819/4885AURKA 2590/4885

“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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