SCHEMBL22563368

SCHEMBL22563368

Cc1cc(C)nc(-c2c(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4cccc(C#N)c4)cc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.43
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TSHR P16473 3/20 0.39
CYP2D6 P10635 3/20 0.39
LMNA P02545 3/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A3 P47895 1/20 0.37
ADORA2A P29274 1/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL23487285 0.96 ABCG2 (0.43) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL22563587 0.94 ABCG2 (0.36) ABCG2MEN1KMT2APTGER4
SCHEMBL22563500 0.94 ABCG2 (0.41) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL23487781 0.93 ABCG2 (0.38) ABCG2MEN1ALDH1A1KMT2ATSHR
SCHEMBL19943150 0.92 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19909495 0.91 ALDH1A3 (0.38) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL22563570 0.90 ABCG2 (0.43) ABCG2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL23487261 0.90 ABCG2 (0.44) ABCG2CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL23487620 0.90 ABCG2 (0.35) ABCG2MEN1KMT2APTGER4
SCHEMBL22563556 0.89 ABCG2 (0.43) ABCG2CYP1A2CYP3A4MEN1ALDH1A1

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 2612/4885CYP1A2 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.