SCHEMBL21395838

SCHEMBL21395838

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 8/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 6/20 0.37
CLK4 Q9HAZ1 5/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL17899355 0.88 CCR1 (0.41) CYP3A4ALDH1A1HPGDCYP2C19CYP2D6
SCHEMBL21396191 0.87 FABP1 (0.40) PDE4DMAPK1GABRG2GABRB3GABRA5
SCHEMBL21396231 0.85 PDE4D (0.43) PDE4DALDH1A1CLK4TSHRKDM4E
SCHEMBL21395839 0.84 FABP1 (0.40) PDE4DMAPK1GABRG2GABRB3GABRA5
SCHEMBL21395849 0.84 CYP11B1 (0.37) PDE4DALDH1A1MAPK1TSHRKDM4E
SCHEMBL21395912 0.84 TRPA1 (0.41) NR3C1GRIA1GRIA3PDE4DTRPA1
SCHEMBL17124057 0.81 TSHR (0.42) PDE4DCYP3A4ALDH1A1FEN1CYP2C19
SCHEMBL17522009 0.80 KDM4E (0.40) CYP3A4ALDH1A1CYP2C19CYP2D6TSHR
SCHEMBL6715978 0.79 METAP2 (0.44) CYP3A4ALDH1A1CYP2C19CYP2D6TSHR
SCHEMBL19942200 0.78 ESR2 (0.42) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10

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 1255/4885GRIA1 1447/4885GRIA3 1671/4885

“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.