SCHEMBL21395841

SCHEMBL21395841

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4ccc5ccc6ccccc6c5n4)ccc2n3-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.39
ADORA2A P29274 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GRM2 Q14416 1/20 0.38
IDO1 P14902 1/20 0.37
PGR P06401 1/20 0.37
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 4/20 0.36
CYP2D6 P10635 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CLK4 Q9HAZ1 3/20 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
SCHEMBL15305728 0.91 ALDH1A3 (0.43) ALDH1A3IRAK4ADORA2AGABRA1GABRG2
SCHEMBL21396231 0.89 PDE4D (0.43) ALDH1A3ADORA2AALDH1A1TSHRCLK4
SCHEMBL17253674 0.84 ALDH1A3 (0.44) ALDH1A3IRAK4ADORA2AGABRA1GABRG2
SCHEMBL21395839 0.82 FABP1 (0.40) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL20930618 0.82 KDM4E (0.50) ALDH1A3IRAK4ADORA2AGABRA1GABRG2
SCHEMBL18560765 0.81 ALDH1A3 (0.42) ALDH1A3IRAK4ADORA2AGABRA1GABRG2
SCHEMBL18540347 0.81 ALDH1A3 (0.42) ALDH1A3IRAK4ADORA2AGABRA1GABRG2
SCHEMBL15305771 0.81 ALDH1A3 (0.46) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL17828735 0.81 ADORA2A (0.41) ALDH1A3IRAK4ADORA2ACYP1A2CYP3A4
SCHEMBL21396191 0.80 FABP1 (0.40) ALDH1A3GABRA1GABRG2GABRB3GABRA5

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 ALDH1A3 58/4885IRAK4 4117/4885ADORA2A 2704/4885

“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.