SCHEMBL21693074

SCHEMBL21693074

N#Cc1cc(C#N)cc(-c2cc(-c3cccc4sc5ccccc5c34)cc(-c3cccc4sc5ccccc5c34)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
BRDT Q58F21 1/20 0.35
ALOX5 P09917 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ADORA2A P29274 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
F9 P00740 1/20 0.31
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL21692539 0.94 ADORA2A (0.36) GPR3BRDTALOX5ADRA2CSLC22A12
SCHEMBL21691622 0.92 ALOX5 (0.46) GPR3BRDTALOX5ADRA2CMAPT
SCHEMBL21692406 0.92 ALDH1A1 (0.36) GPR3BRDTALOX5ADRA2CMAPT
SCHEMBL21693106 0.92 ALOX5 (0.35) GPR3BRDTALOX5ADRA2CMAPT
SCHEMBL21692336 0.92 ADRA2C (0.41) ADRA2CSLC22A12ADORA2AMAPTALDH1A1
SCHEMBL21692748 0.90 TNKS (0.36) BRDTSLC22A12
SCHEMBL21692338 0.90 PRSS12 (0.39) GPR3BRDTALOX5MAOBPRSS12
SCHEMBL21693080 0.88 BRDT (0.34) GPR3BRDTALOX5ADRA2CSLC22A12
SCHEMBL21693082 0.88 BRDT (0.35) GPR3BRDTALOX5ADRA2CSLC22A12
SCHEMBL21692532 0.87 SLC22A12 (0.35) GPR3BRDTALOX5SLC22A12MAPT

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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 (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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 GPR3 1463/4885BRDT 1092/4885ALOX5 2220/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 GPR3 1463/4885BRDT 1092/4885ALOX5 2220/4885

“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.