SCHEMBL23487668

SCHEMBL23487668

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(C#N)cc43)c(C#N)c(-n3c4ccccc4c4ccc(C#N)cc43)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.41
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GRM5 P41594 1/20 0.33
FFAR1 O14842 1/20 0.32
CA1 P00915 2/20 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
SCHEMBL23487667 0.94 ABCG2 (0.39) ABCG2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL22563382 0.92 ABCG2 (0.40) ABCG2PTGER4ALDH1A1MEN1KMT2A
SCHEMBL21109651 0.91 PTGER4 (0.37) ABCG2PTGER4ALDH1A1CYP1A2CYP3A4
SCHEMBL19919736 0.91 PTGER4 (0.36) ABCG2PTGER4ALDH1A1MEN1KMT2A
SCHEMBL23487785 0.91 ABCG2 (0.44) ABCG2ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL23487618 0.90 KDM4E (0.34) ABCG2ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL22563497 0.90 KDM4E (0.34) ABCG2ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL22563684 0.90 PDE9A (0.35) ABCG2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL22563377 0.89 ABCG2 (0.36) ABCG2PTGER4ALDH1A1CYP1A2CYP3A4
SCHEMBL22563385 0.89 ABCG2 (0.35) ABCG2PTGER4ALDH1A1MEN1KMT2A

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 2612/4885PTGER4 1486/4885ALDH1A1 80/4885

“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.