SCHEMBL23487644

SCHEMBL23487644

Cc1cc(C)nc(-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)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.35
ABCB1 P08183 1/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 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
SCHEMBL23487348 0.97 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563494 0.93 CYP1A2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563454 0.92 ABCG2 (0.42) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19942614 0.91 L3MBTL1 (0.42) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909102 0.91 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563461 0.90 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487292 0.90 CYP1A2 (0.38) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487312 0.89 ABCG2 (0.32) ABCG2ALDH1A1
SCHEMBL23487310 0.88 ABCG2 (0.34) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909108 0.88 ABCG2 (0.38) ABCG2CYP1A2CYP2C9CYP2C19NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 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 (1 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 2612/4885CYP1A2 600/4885CYP2C9 336/4885

“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.