SCHEMBL22563568

SCHEMBL22563568

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.40
ABCG2 Q9UNQ0 4/20 0.37
ABCB1 P08183 1/20 0.36
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPY5R Q15761 2/20 0.35
MYC P01106 1/20 0.34
ACP1 P24666 1/20 0.34
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL22563593 0.97 ABCG2 (0.39) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL21279174 0.95 PTGER4 (0.37) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL19942582 0.94 PTGER4 (0.41) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL19909536 0.93 PTGER4 (0.37) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL21279183 0.92 ABCG2 (0.38) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL23487262 0.92 ABCG2 (0.42) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL21108319 0.91 L3MBTL1 (0.42) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL22562185 0.90 PTGER4 (0.37) PTGER4ABCG2CYP1A2CYP3A4LMNA
SCHEMBL19913298 0.90 MYC (0.37) PTGER4ABCG2ABCB1CYP1A2CYP3A4
SCHEMBL22563572 0.90 ABCG2 (0.40) PTGER4ABCG2ABCB1LMNAMEN1

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 PTGER4 1486/4885ABCG2 2612/4885ABCB1 1179/4885

“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.