SCHEMBL23487237

SCHEMBL23487237

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)c(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)cc2C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.41
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A3 P47895 1/20 0.36
ADORA2A P29274 1/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 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
SCHEMBL23487631 0.96 ABCG2 (0.42) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL22563512 0.93 ABCG2 (0.33) ABCG2
SCHEMBL21108068 0.92 CYP1A2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL23487699 0.92 ABCG2 (0.37) ABCG2MEN1KMT2AFFAR1HRH4
SCHEMBL23487292 0.92 CYP1A2 (0.38) ABCG2CYP1A2ALDH1A1LMNACYP2C19
SCHEMBL19919750 0.91 ADORA2A (0.37) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL23487356 0.91 AR (0.37) ABCG2CYP1A2ALDH1A1CYP2C19MAPK1
SCHEMBL23487300 0.90 STS (0.35) ABCG2MEN1KMT2A
SCHEMBL22563693 0.90 ABCG2 (0.36) ABCG2KDM4EFFAR1
SCHEMBL23487650 0.89 MAOA (0.33) ABCG2CYP1A2ALDH1A1LMNACYP2C19

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 600/4885CYP3A4 1059/4885

“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.