SCHEMBL23487291

SCHEMBL23487291

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
CHEK1 O14757 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGER4 P35408 2/20 0.35
FFAR1 O14842 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ELANE P08246 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
USP14 P54578 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL22563535 0.96 CHEK1 (0.39) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL23487699 0.94 ABCG2 (0.37) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL23487723 0.94 CYP1A2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563541 0.93 ABCG2 (0.33) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487597 0.93 NPSR1 (0.34) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL21108394 0.92 PTGER4 (0.37) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL22563704 0.91 CYP1A2 (0.41) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563701 0.91 ABCG2 (0.36) ABCG2PTGER4FFAR1CYP1A2CYP2C9
SCHEMBL23487696 0.91 STS (0.34) ABCG2MEN1KMT2AATMPTGER4
SCHEMBL22268596 0.91 ABCG2 (0.38) ABCG2CHEK1MEN1KMT2AATM

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 2612/4885CHEK1 2408/4885MEN1 2472/4885

“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.