SCHEMBL21691605

SCHEMBL21691605

N#Cc1cccc(-c2cccc(C#N)c2-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.38
CHEK1 O14757 1/20 0.37
PDK2 Q15119 1/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA2A P29274 1/20 0.36
ALOX5 P09917 1/20 0.35
MAOB P27338 1/20 0.35
PRF1 P14222 1/20 0.35
PGR P06401 2/20 0.34
PRKDC P78527 1/20 0.34
FASN P49327 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 2/20 0.33

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
SCHEMBL21693050 0.93 ADRA2C (0.40) ADRA2CCHEK1PDK2MAP4K4ADORA2A
SCHEMBL21691611 0.92 G6PD (0.36) CHEK1PDK2ADORA2AALOX5PRKDC
SCHEMBL21692443 0.91 SLC22A12 (0.36) CHEK1ALOX5FASNGABRG2GABRB3
SCHEMBL21692218 0.90 PIM3 (0.37) CHEK1ALOX5FASNALDH1A1
SCHEMBL21691610 0.89 G6PD (0.38) CHEK1PDK2MAP4K4PRKDCFASN
SCHEMBL21692444 0.89 SLC22A12 (0.36) ALOX5FASNCYP1A2GABRG2GABRB3
SCHEMBL21691602 0.88 ADRA2C (0.42) ADRA2CCHEK1PDK2MAP4K4ADORA2A
SCHEMBL21691544 0.87 GABRG2 (0.39) ADRA2CALOX5CYP1A2CYP3A4CLK4
SCHEMBL21692507 0.87 ADRA2C (0.43) ADRA2CCHEK1PDK2MAP4K4ADORA2A
SCHEMBL21691931 0.87 MAP4K4 (0.44) CHEK1PDK2MAP4K4ADORA2APGR

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 ADRA2C 776/4885CHEK1 594/4885PDK2 1990/4885
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 ADRA2C 776/4885CHEK1 594/4885PDK2 1990/4885

“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.