SCHEMBL25820805

SCHEMBL25820805

O=C1c2cc(Nc3ccncc3)ccc2CN1c1cc(Oc2ccccc2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
FES P07332 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GCK P35557 1/20 0.35
MAPK13 O15264 1/20 0.35
NFKB1 P19838 1/20 0.35
NR2C2 P49116 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TAB1 Q15750 1/20 0.35
MAPK8 P45983 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
SCHEMBL25827154 0.96 SCN9A (0.39) SCN9AMAPK1MAPK13NFKB1NR2C2
SCHEMBL25820797 0.90 GCK (0.36) KDRMAPTALDH1A1GAATSHR
SCHEMBL24010362 0.89 P2RX3 (0.35) SCN9AMAPK13CBLBADAM17GRM4
SCHEMBL25820789 0.87 NPC1 (0.41) FESFGFR1FLT4KDRGAA
SCHEMBL25827086 0.85 CYP11B2 (0.39) SCN9AFESFGFR1FLT4KDR
SCHEMBL25488380 0.83 CYP11B2 (0.32) SCN9AMAPK1
SCHEMBL24010356 0.82 MAPK13 (0.38) KDRGAATSHRMAPK1MAPK13
SCHEMBL25820799 0.79 NPC1 (0.38) KDRGAALMNAHTTGCK
SCHEMBL24003929 0.74 CYP11B2 (0.39) KDRMAPK13ERBB2
SCHEMBL26328176 0.72 CYP11B2 (0.37) SCN9AMAPTMAPK13

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 4086/4885FES 3358/4885FGFR1 1071/4885

“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.