SCHEMBL31663536

SCHEMBL31663536

N#Cc1ccccc1-c1ccc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
ATR Q13535 1/20 0.46
ESR2 Q92731 1/20 0.45
ERBB2 P04626 1/20 0.44
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL31273715 1.00 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3ATR
SCHEMBL12853991 0.82 MEN1 (0.50) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL7219112 0.81 ADORA1 (0.53) ERBB2ADORA2AADORA1KDM4EMAPT
SCHEMBL12855300 0.80 L3MBTL1 (0.43) GABRG2GABRB3GABRA5GABRA3ERBB2
SCHEMBL23296289 0.78 KMT2A (0.57) GABRG2GABRB3GABRA5GABRA3ATR
SCHEMBL31663534 0.78 KMT2A (0.57) GABRG2GABRB3GABRA5GABRA3ATR
SCHEMBL13397031 0.77 ALDH1A3 (0.48) GABRG2GABRB3GABRA5GABRA3ERBB2
SCHEMBL834140 0.77 MEN1 (0.52) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL6983950 0.76 ATR (0.61) GABRG2GABRB3GABRA5GABRA3ATR
SCHEMBL31273553 0.75 ADORA1 (0.54) GABRG2GABRB3GABRA5GABRA3ATR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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 (2 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 GABRG2 3351/4885GABRB3 2361/4885GABRA5 2984/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 GABRG2 3351/4885GABRB3 2361/4885GABRA5 2984/4885

“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.