SCHEMBL25827154

SCHEMBL25827154

O=C1c2cc(Nc3ccncc3)ccc2CN1c1cc(Oc2ccncc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
MAPK13 O15264 1/20 0.37
ADAM17 P78536 1/20 0.35
MAPK1 P28482 1/20 0.35
ACVRL1 P37023 1/20 0.34
CBLB Q13191 2/20 0.34
NFKB1 P19838 3/20 0.33
NR2C2 P49116 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
TAB1 Q15750 3/20 0.33
GRM4 Q14833 1/20 0.33
ROCK2 O75116 1/20 0.32
CHEK1 O14757 1/20 0.32
PDPK1 O15530 1/20 0.32
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CDK1 P06493 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL25820805 0.96 SCN9A (0.36) SCN9AMAPK13ADAM17MAPK1CBLB
SCHEMBL24010362 0.93 P2RX3 (0.35) SCN9AMAPK13ADAM17CBLBGRM4
SCHEMBL25820797 0.86 GCK (0.36) MAPK1CBLBNFKB1NR2C2NFKB2
SCHEMBL25827086 0.85 CYP11B2 (0.39) SCN9AMAPK13ADAM17MAPK1CBLB
SCHEMBL25488380 0.83 CYP11B2 (0.32) SCN9AMAPK1SCN5A
SCHEMBL25820789 0.82 NPC1 (0.41) ADAM17MAPK1CBLBNFKB1NFKB2
SCHEMBL24010356 0.81 MAPK13 (0.38) MAPK13ADAM17MAPK1CBLBGRM4
SCHEMBL25820799 0.74 NPC1 (0.38) CBLBNFKB1NFKB2RELA
SCHEMBL24003929 0.73 CYP11B2 (0.39) MAPK13CHEK1PDPK1MAP4K4EGFR
SCHEMBL24003861 0.72 CYP11B2 (0.38) MAPK1CBLBAPPMAP3K5

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 SCN9A 4086/4885MAPK13 84/4885ADAM17 4191/4885

“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.