SCHEMBL23487285

SCHEMBL23487285

Cc1cc(C)nc(-c2c(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)cc(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.43
CLK4 Q9HAZ1 4/20 0.38
ALDH1A3 P47895 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F11 P03951 1/20 0.37
PIN1 Q13526 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL22563368 0.96 ABCG2 (0.43) ABCG2CLK4ALDH1A3IDO1ALDH1A1
SCHEMBL23487779 0.92 ABCG2 (0.38) ABCG2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL22563570 0.92 ABCG2 (0.43) ABCG2ALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL22563588 0.92 CHEK1 (0.36) ABCG2IRAK4CHEK1
SCHEMBL22563556 0.91 ABCG2 (0.43) ABCG2CLK4ALDH1A3ALDH1A1CYP1A2
SCHEMBL21108786 0.91 CLK4 (0.39) CLK4ALDH1A3IDO1ALDH1A1CYP1A2
SCHEMBL22563564 0.91 CHEK1 (0.41) ABCG2MEN1KMT2AIRAK4CHEK1
SCHEMBL19919732 0.90 ALDH1A3 (0.38) ABCG2CLK4ALDH1A3ALDH1A1CYP1A2
SCHEMBL22563500 0.89 ABCG2 (0.41) ABCG2CLK4ALDH1A3ALDH1A1CYP1A2
SCHEMBL22563587 0.89 ABCG2 (0.36) ABCG2MEN1KMT2AIRAK4CHEK1

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 2612/4885CLK4 3660/4885ALDH1A3 91/4885

“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.