SCHEMBL19909024

SCHEMBL19909024

N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
PDE10A Q9Y233 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
NR3C1 P04150 1/20 0.38
ESR2 Q92731 1/20 0.38
PPARG P37231 2/20 0.37
CDC7 O00311 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP11B1 P15538 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
SCHEMBL19919602 0.97 TRPA1 (0.43) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL19909030 0.93 TRPA1 (0.41) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL19919823 0.93 SQOR (0.40) TRPA1GSK3AGSK3BCYP1A2ALDH1A1
SCHEMBL19913123 0.93 TRPA1 (0.41) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL20923721 0.93 TRPA1 (0.39) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL20924032 0.93 PDE10A (0.38) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL20924030 0.92 PDE10A (0.37) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL20923723 0.92 TRPA1 (0.38) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL19919613 0.91 TRPA1 (0.43) TRPA1PDE10AGSK3AGSK3BNR3C1
SCHEMBL19909346 0.90 AR (0.40) TRPA1CYP1A2ALDH1A1HPGDLMNA

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 TRPA1 70/4885PDE10A 2467/4885GSK3A 3265/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 TRPA1 1168/4885PDE10A 4550/4885GSK3A 2523/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 TRPA1 70/4885PDE10A 2467/4885GSK3A 3265/4885

“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.