SCHEMBL25501126

SCHEMBL25501126

N#Cc1ccc(N(c2ccccc2)c2cc(-c3ccccc3)c3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PGR P06401 2/20 0.32
MYC P01106 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL25501162 0.96 PDK2 (0.34) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL25501044 0.91 PGR (0.32) PDK2PGR
SCHEMBL25501043 0.90 PDK2 (0.32) PDK2
SCHEMBL25501335 0.86 HSD11B1 (0.32) PDK2
SCHEMBL25501047 0.85 KIF11 (0.36) PDK2PGRLTB4R2
SCHEMBL25501112 0.82 PDK2 (0.31) PDK2
SCHEMBL25582613 0.82 PDK2 (0.40) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL25582614 0.82 GABRA1 (0.35) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL25501035 0.81 SIGMAR1 (0.30)
SCHEMBL25501333 0.81 PDK2 (0.34) PDK2

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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device MNS1, NOS1, NPM1 PDK2 3769/4885GABRA1 4756/4885GABRG2 4679/4885

“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.