SCHEMBL21692533

SCHEMBL21692533

N#Cc1ccc(-c2cc(-c3cccc4sc5ccccc5c34)c(C#N)c(-c3cccc4sc5ccccc5c34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.37
BRDT Q58F21 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
PIM1 P11309 2/20 0.34
KDM4A O75164 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
ALOX5 P09917 1/20 0.34
PDK2 Q15119 1/20 0.34
TNKS O95271 1/20 0.33
PRF1 P14222 1/20 0.33
MAOB P27338 1/20 0.33
GPR3 P46089 1/20 0.33
LIMK1 P53667 1/20 0.32
MMP3 P08254 1/20 0.32
TDO2 P48775 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL21692416 0.93 LIMK1 (0.35) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21693113 0.93 ALOX5 (0.35) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21691754 0.93 ALOX5 (0.43) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21692530 0.93 KDM4A (0.35) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21693236 0.91 TNKS (0.40) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21693082 0.91 BRDT (0.35) BRDTGABRG2GABRB3GABRA5GABRA3
SCHEMBL21693069 0.89 GABRG2 (0.39) BRDTGABRA1GABRG2GABRB3GABRA5
SCHEMBL21692338 0.88 PRSS12 (0.39) PRSS12BRDTGABRA1GABRG2GABRB3
SCHEMBL21693080 0.86 BRDT (0.34) BRDTGABRG2GABRB3GABRA5GABRA3
SCHEMBL21693144 0.85 ALOX5 (0.36) BRDTPIM1ALOX5GPR3

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 PRSS12 4694/4885BRDT 1092/4885GABRA1 3865/4885
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 PRSS12 4694/4885BRDT 1092/4885GABRA1 3865/4885

“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.