SCHEMBL23487696

SCHEMBL23487696

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
PTGER4 P35408 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM5 P41594 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
XDH P47989 1/20 0.31

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
SCHEMBL22563536 0.96 STS (0.34) STSABCG2PTGER4FFAR4GABRA1
SCHEMBL23487300 0.95 STS (0.35) STSABCG2PTGER4FFAR4GABRA1
SCHEMBL22268551 0.95 STS (0.35) STSABCG2PTGER4FFAR4GABRA1
SCHEMBL21108285 0.92 PTGER4 (0.35) STSPTGER4FFAR4GABRA1GABRG2
SCHEMBL19919756 0.91 STS (0.35) STSPTGER4FFAR4GABRA1GABRG2
SCHEMBL23487291 0.91 ABCG2 (0.37) ABCG2PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL22563701 0.91 ABCG2 (0.36) ABCG2PTGER4CYP1A2CYP2C9CYP2C19
SCHEMBL22563379 0.90 STS (0.36) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22268552 0.90 STS (0.36) STSABCG2FFAR4GABRA1GABRG2
SCHEMBL22563559 0.89 PTGER4 (0.35) STSABCG2PTGER4FFAR4GABRA1

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 STS 3725/4885ABCG2 2612/4885PTGER4 1486/4885

“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.