SCHEMBL21693080

SCHEMBL21693080

N#Cc1cc(C#N)cc(-c2cc(-c3cccc4sc5ccccc5c34)cc(-c3cccc4sc5ccccc5c34)c2C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 1/20 0.34
PIM1 P11309 2/20 0.32
GPR3 P46089 1/20 0.32
ALOX5 P09917 1/20 0.31
ADRA2C P18825 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL21693082 0.95 BRDT (0.35) BRDTPIM1GPR3ALOX5ADRA2C
SCHEMBL21693072 0.93 ADRA2C (0.40) BRDTADRA2CADORA2AADORA1GABRG2
SCHEMBL21692530 0.91 KDM4A (0.35) BRDTPIM1GPR3ALOX5GABRG2
SCHEMBL21692337 0.90 SQOR (0.38) BRDTPIM1ADORA2AADORA1SLC22A12
SCHEMBL21692596 0.90 ALOX5 (0.35) BRDTPIM1GPR3ALOX5ADRA2C
SCHEMBL21693152 0.90 ALOX5 (0.35) BRDTPIM1GPR3ALOX5ADRA2C
SCHEMBL21693074 0.88 GPR3 (0.36) BRDTGPR3ALOX5ADRA2CADORA2A
SCHEMBL21692616 0.88 ALOX5 (0.41) BRDTGPR3ALOX5
SCHEMBL21693069 0.88 GABRG2 (0.39) BRDTADRA2CADORA2AADORA1GABRG2
SCHEMBL21692533 0.86 PRSS12 (0.37) BRDTPIM1GPR3ALOX5GABRG2

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 BRDT 1092/4885PIM1 3916/4885GPR3 1463/4885
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 BRDT 1092/4885PIM1 3916/4885GPR3 1463/4885

“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.