SCHEMBL21693031

SCHEMBL21693031

N#Cc1cccc(-c2ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
PTPN5 P54829 1/20 0.43
CLK4 Q9HAZ1 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
GPR3 P46089 1/20 0.40
ADORA2A P29274 1/20 0.40
TDO2 P48775 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL21691567 0.99 MAP4K4 (0.44) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21691931 0.99 MAP4K4 (0.44) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21691581 0.97 MAP4K4 (0.43) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21691560 0.96 MAP4K4 (0.42) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21692340 0.94 MAP4K4 (0.41) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21691571 0.93 PRSS12 (0.42) MAP4K4PTPN5ALDH1A1GPR3GABRA1
SCHEMBL21691573 0.93 GPR3 (0.41) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21692417 0.93 GPR3 (0.41) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21693090 0.92 MAP4K4 (0.40) MAP4K4PTPN5CLK4ALDH1A1CYP1A2
SCHEMBL21691602 0.92 ADRA2C (0.42) MAP4K4PTPN5CLK4ALDH1A1CYP1A2

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 MAP4K4 3404/4885PTPN5 4823/4885CLK4 636/4885
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 MAP4K4 3404/4885PTPN5 4823/4885CLK4 636/4885

“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.