SCHEMBL19908962

SCHEMBL19908962

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
CYP11B2 P19099 1/20 0.34
FLT3 P36888 2/20 0.34
PTGER4 P35408 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
AURKA O14965 1/20 0.33
PRKACA P17612 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKCQ Q04759 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL19919542 0.94 PTGER4 (0.38) MAPK14CYP11B2FLT3PTGER4SQOR
SCHEMBL19909485 0.94 FLT3 (0.34) MAPK14FLT3GSK3AGSK3BAURKA
SCHEMBL19909505 0.93 AURKA (0.40) CYP11B2FLT3GSK3AGSK3BAURKA
SCHEMBL19908910 0.93 FLT3 (0.36) MAPK14CYP11B2FLT3SQORGSK3A
SCHEMBL19908876 0.92 SQOR (0.40) MAPK14CYP11B2SQORGSK3AGSK3B
SCHEMBL21414285 0.92 PGR (0.35) PTGER4
SCHEMBL21414130 0.91 TSPO (0.36) PTGER4CYP19A1ADORA2AADORA1
SCHEMBL21414181 0.91 PTGER4 (0.37) PTGER4CYP19A1
SCHEMBL19909124 0.90 KDM4E (0.42) MAPK14CYP11B2PTGER4SQORGSK3A
SCHEMBL19909120 0.90 CYP11B2 (0.36) MAPK14CYP11B2FLT3PTGER4SQOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 MAPK14 2544/4885CYP11B2 402/4885FLT3 2571/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 MAPK14 2787/4885CYP11B2 965/4885FLT3 3269/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 MAPK14 2544/4885CYP11B2 402/4885FLT3 2571/4885

“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.