SCHEMBL31663591

SCHEMBL31663591

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.62
ABCB1 P08183 8/20 0.62
TSHR P16473 1/20 0.54
ABCC1 P33527 3/20 0.54
CYP11B2 P19099 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
ALDH1A3 P47895 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL22360641 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL20396079 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL22106575 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL23383850 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL19939304 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL23384091 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL22883053 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL23383904 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL19939303 0.98 ABCG2 (0.60) ABCG2ABCB1TSHRABCC1CYP11B2
SCHEMBL22414164 0.92 ABCG2 (0.59) ABCG2ABCB1TSHRABCC1CYP11B2

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 ABCG2 75/4885ABCB1 560/4885TSHR 4805/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ABCG2 75/4885ABCB1 560/4885TSHR 4805/4885

“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.