SCHEMBL19919612

SCHEMBL19919612

N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccncc2)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NR3C1 P04150 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 5/20 0.38
CLK4 Q9HAZ1 4/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38
PPARG P37231 2/20 0.37
CDC7 O00311 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL19919614 0.98 NR3C1 (0.42) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL19913326 0.93 SQOR (0.40) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL19909030 0.93 TRPA1 (0.41) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL19913123 0.93 TRPA1 (0.41) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL20924133 0.93 TRPA1 (0.39) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL20923147 0.93 PDE10A (0.38) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL19919613 0.91 TRPA1 (0.43) TRPA1NR3C1PDE10AGSK3AGSK3B
SCHEMBL19913108 0.90 AR (0.40) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL19909483 0.90 PIK3CA (0.41) GSK3AGSK3BCYP1A2CLK4CYP2C19
SCHEMBL19909031 0.90 NR3C1 (0.42) TRPA1NR3C1PDE10AGSK3AGSK3B

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 4 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

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 70/4885NR3C1 3804/4885PDE10A 2467/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 TRPA1 1168/4885NR3C1 3895/4885PDE10A 4550/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 TRPA1 70/4885NR3C1 3804/4885PDE10A 2467/4885

“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.