SCHEMBL22563382

SCHEMBL22563382

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5)cc43)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.40
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGER4 P35408 2/20 0.36
ELANE P08246 1/20 0.34
FFAR1 O14842 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
USP14 P54578 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HSD11B1 P28845 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM1A O60341 1/20 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
SCHEMBL22563378 0.94 CHEK1 (0.40) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL23487617 0.94 KDM4E (0.38) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22563377 0.93 ABCG2 (0.36) ABCG2MEN1KMT2APTGER4KDM4E
SCHEMBL23487778 0.93 PDE9A (0.38) ABCG2MEN1KMT2AKDM4EALDH1A1
SCHEMBL23487668 0.92 ABCG2 (0.41) ABCG2MEN1KMT2APTGER4FFAR1
SCHEMBL23487785 0.92 ABCG2 (0.44) ABCG2MEN1KMT2AHRH4KDM4E
SCHEMBL19942693 0.92 PTGER4 (0.38) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL19909203 0.91 CHEK1 (0.38) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL22563573 0.90 KDM4E (0.40) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23487672 0.89 KDM5B (0.37) ABCG2MEN1KMT2AELANEKDM4E

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 2408/4885MEN1 2472/4885

“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.