SCHEMBL22760899

SCHEMBL22760899

N#Cc1cccc(-c2cc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 5/20 0.46
CYP2D6 P10635 5/20 0.46
CLK4 Q9HAZ1 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 3/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 3/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.40

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
SCHEMBL22760897 0.97 CYP1A2 (0.46) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL22761048 0.92 CYP1A2 (0.47) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL22760900 0.91 CYP1A2 (0.46) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL21546689 0.91 ALDH1A3 (0.42) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL22760896 0.90 CYP1A2 (0.46) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL22760892 0.90 CYP1A2 (0.46) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL22760967 0.90 ALDH1A3 (0.39) CYP1A2CYP3A4CLK4ALDH1A1ALDH1A3
SCHEMBL22760950 0.89 CYP1A2 (0.39) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL21546499 0.89 CLK4 (0.56) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL21546941 0.89 ALDH1A3 (0.37) CYP1A2CYP3A4CLK4ALDH1A1ALDH1A3

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 CYP1A2 512/4885CYP3A4 904/4885MEN1 1511/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CYP1A2 512/4885CYP3A4 904/4885MEN1 1511/4885

“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.