SCHEMBL25820841

SCHEMBL25820841

O=C1c2ccc(Nc3ccncc3)cc2CN1c1cccc(Nc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
APP P05067 1/20 0.42
MAPK14 Q16539 9/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL24003910 0.98 CYP11B2 (0.48) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL24003812 0.92 CYP11B2 (0.44) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL30232616 0.92 CYP11B2 (0.44) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL24003947 0.89 CYP11B2 (0.46) CYP11B2CYP11B1NPC1RAB9AMAPK14
SCHEMBL24003824 0.89 CYP11B2 (0.42) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL26332877 0.89 CYP11B2 (0.42) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL26323046 0.89 CYP11B2 (0.42) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL25820854 0.88 NPC1 (0.41) CYP11B2CYP11B1NPC1RAB9AAPP
SCHEMBL30232626 0.87 CYP11B2 (0.40) CYP11B2CYP11B1NPC1RAB9AMAPK14
SCHEMBL24003867 0.87 CYP11B2 (0.40) CYP11B2CYP11B1NPC1RAB9AMAPK14

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 CYP11B2 858/4885CYP11B1 587/4885NPC1 901/4885

“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.