SCHEMBL21396064

SCHEMBL21396064

N#Cc1ccccc1-c1ccc2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3n(-c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
TRPA1 O75762 1/20 0.41
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA1 P14867 2/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 4/20 0.38
MAPK1 P28482 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21395874 0.95 NR3C1 (0.46) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL22587042 0.89 NR3C1 (0.37) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL26225181 0.89 NR3C1 (0.37) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL22586669 0.89 NR3C1 (0.37) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL22586934 0.89 NR3C1 (0.37) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL17714963 0.89 ALDH1A1 (0.37) NR3C1ALDH1A1HPGDMAPK1LMNA
SCHEMBL30107898 0.87 NR3C1 (0.45) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL21215261 0.87 NR3C1 (0.45) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL22737435 0.87 TRPA1 (0.40) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL30107861 0.87 NR3C1 (0.43) NR3C1TRPA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 NR3C1 1255/4885TRPA1 27/4885GABRG2 1763/4885

“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.