SCHEMBL25850557

SCHEMBL25850557

Cc1cc(Oc2ccc3nc(-c4cccc(Nc5ccnc6ccc(C#N)cc56)c4)[nH]c3n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.44
▸ GAK O14976 3/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ COQ8A Q8NI60 2/20 0.44
▸ NLK Q9UBE8 2/20 0.44
▸ MAPKAPK2 P49137 2/20 0.42
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 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
SCHEMBL25850556 0.91 GAK (0.44) KDRGAKRIPK2COQ8ANLK
SCHEMBL24010183 0.85 KDR (0.47) KDRGAKRIPK2COQ8ANLK
SCHEMBL24010188 0.80 ABCG2 (0.41) KDRGAKRIPK2COQ8ANLK
SCHEMBL24006095 0.78 MAPKAPK2 (0.44) KDRGAKRIPK2COQ8ANLK
SCHEMBL30287671 0.78 MAPKAPK2 (0.44) KDRGAKRIPK2COQ8ANLK
SCHEMBL24010184 0.77 KDR (0.49) KDRGAKRIPK2COQ8ANLK
SCHEMBL24010186 0.76 MAPKAPK2 (0.44) KDRGAKRIPK2COQ8ANLK
SCHEMBL24006108 0.74 KDR (0.58) KDRMAPKAPK2RAF1BRAFLRRK2
SCHEMBL30287670 0.74 KDR (0.58) KDRMAPKAPK2RAF1BRAFLRRK2
SCHEMBL24003905 0.74 KDR (0.58) KDRMAPKAPK2RAF1BRAFLRRK2

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 KDR 2851/4885GAK 493/4885RIPK2 830/4885

“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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