SCHEMBL21693053

SCHEMBL21693053

N#Cc1cccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-c3ccc4c(c3)sc3ccc(C#N)cc34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 1/20 0.38
PTPN5 P54829 1/20 0.38
ADORA2A P29274 1/20 0.38
LIMK1 P53667 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CLK4 Q9HAZ1 3/20 0.37
CHEK1 O14757 1/20 0.37
GPR3 P46089 1/20 0.37
ALDH1A3 P47895 1/20 0.36

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
SCHEMBL21693087 0.99 MAP4K4 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21693090 0.99 MAP4K4 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21692340 0.96 MAP4K4 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21691560 0.95 MAP4K4 (0.42) ALDH1A1MAP4K4PTPN5ADORA2AXDH
SCHEMBL21692461 0.95 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15318095 0.92 PTPN5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21691931 0.92 MAP4K4 (0.44) ALDH1A1MAPTMAP4K4PTPN5ADORA2A
SCHEMBL21691567 0.92 MAP4K4 (0.44) ALDH1A1MAPTMAP4K4PTPN5ADORA2A
SCHEMBL21693155 0.91 PDK2 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21693031 0.91 MAP4K4 (0.43) ALDH1A1MAP4K4PTPN5ADORA2AXDH

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 ALDH1A1 738/4885MAPT 1412/4885HPGD 3809/4885
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 ALDH1A1 738/4885MAPT 1412/4885HPGD 3809/4885

“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.