SCHEMBL22761000

SCHEMBL22761000

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C#N)c2-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA1 P14867 1/20 0.38
ALDH1A3 P47895 1/20 0.37
MAPK14 Q16539 1/20 0.35
GRM5 P41594 2/20 0.34
MAP4K4 O95819 1/20 0.34
TDO2 P48775 1/20 0.34
CLK4 Q9HAZ1 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL22760974 0.95 TGFBR1 (0.38) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22761001 0.92 TGFBR1 (0.40) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546968 0.90 CHEK1 (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760693 0.90 CHEK1 (0.37) ALDH1A3MAP4K4CLK4ALDH1A1CYP1A2
SCHEMBL22761209 0.89 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22822587 0.88 TGFBR1 (0.33) TGFBR1GABRG2GABRB3GABRA3GABRA1
SCHEMBL22760997 0.88 ALDH1A3 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760647 0.88 PDK2 (0.36) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546974 0.87 CLK4 (0.48) GRM5MAP4K4TDO2CLK4ALDH1A1
SCHEMBL22760887 0.87 CHEK1 (0.35) ALDH1A3MAP4K4CLK4ALDH1A1CYP1A2

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM TGFBR1 2580/4885GABRG2 1767/4885GABRB3 1915/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM TGFBR1 2580/4885GABRG2 1767/4885GABRB3 1915/4885

“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.