SCHEMBL26310194

SCHEMBL26310194

CC(=O)N(c1ccnc(C)c1)c1cnc2[nH]c(-c3ccc(Nc4ccnc5ccc(N(C)C)cc45)cc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.41
▸ MAPKAPK2 P49137 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL23999524 0.91 KDR (0.34) KDRMAPKAPK2ALDH1A1GAAMAPT
SCHEMBL26310209 0.91 KDR (0.33) KDRMAPKAPK2BRAF
SCHEMBL23999907 0.87 MAPKAPK2 (0.42) KDRMAPKAPK2
SCHEMBL23999518 0.85 MAPKAPK2 (0.47) MAPKAPK2PARP1
SCHEMBL26310233 0.83 KDR (0.42) KDRMAPKAPK2ALDH1A1GAAMAPT
SCHEMBL23999610 0.83 KDR (0.47) KDRMAPKAPK2
SCHEMBL30180419 0.83 KDR (0.47) KDRMAPKAPK2
SCHEMBL25826368 0.81 KDR (0.43) KDRMAPKAPK2
SCHEMBL25495553 0.79 KDR (0.37) KDRMAPKAPK2ALDH1A1GAAMAPT
SCHEMBL23999823 0.78 MAPKAPK2 (0.36) MAPKAPK2

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 3433/4885MAPKAPK2 151/4885ALDH1A1 4544/4885

“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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