SCHEMBL31663575

SCHEMBL31663575

N#Cc1ccc(-c2ccncc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
NOTUM Q6P988 1/20 0.45
SQOR Q9Y6N5 1/20 0.43
LRRK2 Q5S007 2/20 0.43
PRKACA P17612 2/20 0.43
GSK3B P49841 2/20 0.43
CDK8 P49336 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MET P08581 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41

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
SCHEMBL31663612 1.00 ADORA1 (0.46) ADORA1ADORA2ANOTUMSQORLRRK2
SCHEMBL12679765 0.81 ADORA1 (0.55) ADORA1ADORA2ANOTUMSQORMET
SCHEMBL31663594 0.81 ADORA1 (0.55) ADORA1ADORA2ANOTUMSQORMET
SCHEMBL31663596 0.81 ADORA1 (0.55) ADORA1ADORA2ANOTUMSQORMET
SCHEMBL31663633 0.78 PIK3CA (0.48) ADORA1ADORA2ANOTUMSQORLRRK2
SCHEMBL31663627 0.76 CYP2C19 (0.49) ADORA1ADORA2ANOTUMSQORLRRK2
SCHEMBL11163889 0.75 ADORA2A (0.45) ADORA1ADORA2AKDM4EHPGDALDH1A1
SCHEMBL565466 0.74 ESR2 (0.50) LRRK2CYP2C19KDM4ELMNAHPGD
SCHEMBL3224025 0.74 ESR2 (0.60) NOTUMSQORGSK3BGSK3ACDC7
SCHEMBL31663514 0.74 ESR2 (0.60) NOTUMSQORGSK3BGSK3ACDC7

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 ADORA1 3690/4885ADORA2A 1368/4885NOTUM 797/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ADORA1 3690/4885ADORA2A 1368/4885NOTUM 797/4885

“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.