SCHEMBL25820789

SCHEMBL25820789

O=C1c2cc(Nc3ccncc3)ccc2CN1c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP11B2 P19099 2/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FES P07332 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
BUB1 O43683 1/20 0.36
MET P08581 1/20 0.36
PKM P14618 2/20 0.36
APP P05067 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPR142 Q7Z601 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL25827086 0.97 CYP11B2 (0.39) NPC1RAB9ACYP11B2FFAR1FFAR4
SCHEMBL24010356 0.88 MAPK13 (0.38) NPC1RAB9ACYP11B2KDRMET
SCHEMBL25820799 0.88 NPC1 (0.38) NPC1RAB9ACYP11B2FFAR1FFAR4
SCHEMBL25820805 0.87 SCN9A (0.36) FESFGFR1FLT4KDRBUB1
SCHEMBL25827154 0.82 SCN9A (0.39) APPNFKB1NFKB2RELACBLB
SCHEMBL25820841 0.81 CYP11B2 (0.46) NPC1RAB9ACYP11B2PKMAPP
SCHEMBL24003929 0.80 CYP11B2 (0.39) NPC1RAB9ACYP11B2KDRMET
SCHEMBL24003861 0.80 CYP11B2 (0.38) NPC1RAB9ACYP11B2PKMAPP
SCHEMBL30232850 0.80 CYP11B2 (0.38) NPC1RAB9ACYP11B2PKMAPP
SCHEMBL25820876 0.80 NPC1 (0.38) NPC1RAB9ACYP11B2FFAR1FFAR4

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 NPC1 901/4885RAB9A 1255/4885CYP11B2 858/4885

“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.