SCHEMBL22563570

SCHEMBL22563570

Cc1cc(C)nc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.43
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GRM5 P41594 2/20 0.36
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ABCB1 P08183 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 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
SCHEMBL22563500 0.97 ABCG2 (0.41) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL22563564 0.94 CHEK1 (0.41) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL23487263 0.93 ABCG2 (0.46) ABCG2MEN1KMT2AATMALDH1A1
SCHEMBL23487285 0.92 ABCG2 (0.43) ABCG2CHEK1MEN1KMT2AALDH1A3
SCHEMBL23487587 0.92 CHEK1 (0.38) ABCG2CHEK1KMT2AALDH1A1IRAK4
SCHEMBL23487779 0.91 ABCG2 (0.38) ABCG2CHEK1MEN1KMT2AGRM5
SCHEMBL21108010 0.91 CHEK1 (0.37) ABCG2CHEK1MEN1KMT2AATM
SCHEMBL22563588 0.91 CHEK1 (0.36) ABCG2CHEK1IRAK4
SCHEMBL23487261 0.90 ABCG2 (0.44) ABCG2MEN1KMT2AATMALDH1A1
SCHEMBL22563368 0.90 ABCG2 (0.43) ABCG2MEN1KMT2AALDH1A3KDM4E

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.