SCHEMBL21933947

SCHEMBL21933947

Clc1cccc(-c2cccc3c(-c4ccccc4)nc4ccccc4c23)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA1 P30542 4/20 0.49
NR1I3 Q14994 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.45
PKM P14618 1/20 0.44
PDE5A O76074 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAT2A P31153 1/20 0.43
MAPT P10636 1/20 0.43
LTB4R Q15722 1/20 0.42
TGFBR1 P36897 1/20 0.42
IDO1 P14902 1/20 0.42
ADORA2B P29275 1/20 0.42
NUDT1 P36639 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
SCHEMBL21933898 0.87 ADORA1 (0.49) ADORA1KDM4ELMNAGAAL3MBTL1
SCHEMBL21933893 0.87 KDM4E (0.60) ADORA2AKDM4ELMNAGAAL3MBTL1
SCHEMBL21933921 0.85 KDM4E (0.52) ADORA1KDM4ELMNAGAAL3MBTL1
SCHEMBL21935001 0.85 KDM4E (0.58) ADORA2AKDM4ELMNAGAAL3MBTL1
SCHEMBL21933945 0.82 MEN1 (0.50) ADORA2ANR1I3KDM4ELMNAGAA
SCHEMBL21934395 0.81 NUDT1 (0.46) ADORA2AKDM4ELMNAGAAL3MBTL1
SCHEMBL21933724 0.81 MEN1 (0.49) ADORA2ANR1I3LMNAGAAL3MBTL1
SCHEMBL21933737 0.81 MEN1 (0.52) ADORA2ANR1I3KDM4ELMNAGAA
SCHEMBL21935643 0.81 MEN1 (0.46) ADORA2ANR1I3KDM4ELMNAGAA
SCHEMBL21934894 0.81 MEN1 (0.46) ADORA2ANR1I3KDM4ELMNAGAA

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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ADORA2A 3484/4885ADORA1 1875/4885NR1I3 828/4885

“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.