SCHEMBL22761001

SCHEMBL22761001

N#Cc1cccc(-c2ccc(-n3c4cc(-c5ccnc(-c6ccccc6)c5)ccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)c(C#N)c2-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA1 P14867 1/20 0.39
ALDH1A3 P47895 1/20 0.39
MAPK14 Q16539 1/20 0.36
GRM5 P41594 6/20 0.36
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDK2 Q15119 1/20 0.34

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 0.97 TGFBR1 (0.38) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22761000 0.92 TGFBR1 (0.38) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546513 0.89 CHEK1 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760969 0.89 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760699 0.88 CHEK1 (0.38) ALDH1A3CLK4ALDH1A1CYP1A2ADORA2A
SCHEMBL22822586 0.88 TGFBR1 (0.35) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22760998 0.87 ALDH1A3 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760645 0.87 PDK2 (0.38) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22761073 0.86 GABRG2 (0.44) TGFBR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546966 0.86 CHEK1 (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1

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.