SCHEMBL22377882

SCHEMBL22377882

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)c(-c2ccc(-n3c4ccccc4c4cccc(C#N)c43)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
TNKS2 Q9H2K2 1/20 0.31
ESR2 Q92731 1/20 0.31
TRPA1 O75762 1/20 0.30
TDP2 O95551 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL22379590 1.00 NR3C1 (0.36) NR3C1TNKS2ESR2TRPA1TDP2
SCHEMBL22377893 0.98 NR3C1 (0.37) NR3C1TNKS2ESR2TRPA1TDP2
SCHEMBL22378767 0.98 NR3C1 (0.37) NR3C1TNKS2ESR2TRPA1TDP2
SCHEMBL22378265 0.95 NR3C1 (0.35) NR3C1TNKS2ESR2TDP2PTGER4
SCHEMBL22379757 0.95 NR3C1 (0.35) NR3C1TNKS2ESR2TDP2PTGER4
SCHEMBL22378197 0.93 GABRA1 (0.34) NR3C1TDP2
SCHEMBL22378272 0.93 NR3C1 (0.36) NR3C1TNKS2ESR2TDP2PTGER4
SCHEMBL22378267 0.93 NR3C1 (0.36) NR3C1TNKS2ESR2TDP2PTGER4
SCHEMBL22377697 0.93 NR3C1 (0.38) NR3C1ESR2TRPA1
SCHEMBL22379588 0.93 NR3C1 (0.36) NR3C1TNKS2ESR2TRPA1TDP2

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-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
US-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-08-27 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 (2 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-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CRY2 NR3C1 1012/4885TNKS2 3329/4885ESR2 473/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 NR3C1 1012/4885TNKS2 3329/4885ESR2 473/4885

“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.