SCHEMBL31663541

SCHEMBL31663541

N#Cc1c(-c2cccnc2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
GAA P10253 3/20 0.58
GLA P06280 3/20 0.58
RXFP1 Q9HBX9 3/20 0.56
ADORA1 P30542 4/20 0.55
ADORA2A P29274 3/20 0.55
IKBKB O14920 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA2B P29275 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP11B2 P19099 4/20 0.47
CYP11B1 P15538 2/20 0.47
CYP19A1 P11511 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL31663594 0.85 ADORA1 (0.55) KDM4ERXFP1ADORA1ADORA2AALDH1A1
SCHEMBL31663596 0.85 ADORA1 (0.55) KDM4ERXFP1ADORA1ADORA2AALDH1A1
SCHEMBL7100991 0.85 KDM4E (0.58) KDM4EGAAGLARXFP1ADORA1
SCHEMBL12679765 0.85 ADORA1 (0.55) KDM4ERXFP1ADORA1ADORA2AALDH1A1
SCHEMBL29266806 0.81 CYP2A6 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL31663556 0.78 CYP2A6 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL31663624 0.75 ADORA2A (0.45) KDM4EGAAGLAADORA1ADORA2A
SCHEMBL29914913 0.75 ADORA2A (0.48) KDM4EGAAGLARXFP1ADORA1
SCHEMBL9069187 0.75 ADORA2A (0.45) KDM4ERXFP1ADORA1ADORA2AALDH1A1
SCHEMBL28427457 0.74 CYP2A6 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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 KDM4E 4364/4885GAA 964/4885GLA 156/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 KDM4E 4364/4885GAA 964/4885GLA 156/4885

“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.