SCHEMBL22563567

SCHEMBL22563567

Cc1cc(C)nc(-c2c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)cc(C#N)cc2-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.36
CHEK1 O14757 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR1 P34998 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
PDE10A Q9Y233 1/20 0.30
HSD11B1 P28845 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL19942583 0.95 CHEK1 (0.35) ABCG2CHEK1KMT2AEGLN2PDE10A
SCHEMBL22563516 0.95 ABCG2 (0.37) ABCG2CHEK1KMT2APDE10APTGER4
SCHEMBL19909535 0.91 IRAK4 (0.32) ABCG2CHEK1IRAK4EGLN2
SCHEMBL19942584 0.90 PTGER4 (0.37) ABCG2CHEK1KMT2AEGLN2PDE10A
SCHEMBL22563564 0.89 CHEK1 (0.41) ABCG2CHEK1IRAK4KMT2ACRHR1
SCHEMBL21108351 0.89 CHEK1 (0.41) CHEK1KMT2AEGLN2PDE10APTGER4
SCHEMBL23487263 0.89 ABCG2 (0.46) ABCG2KMT2A
SCHEMBL21108317 0.89 L3MBTL1 (0.42) ABCG2KMT2A
SCHEMBL21279176 0.89 IRAK4 (0.31) ABCG2IRAK4
SCHEMBL21414152 0.88 CYP1A2 (0.32) CHEK1KMT2A

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 2 patents. 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
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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 2408/4885IRAK4 1613/4885

“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.