SCHEMBL21397129

SCHEMBL21397129

N#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4D Q08499 1/20 0.33
AR P10275 1/20 0.33
GRM5 P41594 2/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21396726 0.90 AR (0.33) GRIA1GRIA3PDE4DAR
SCHEMBL19344992 0.86 KDM4E (0.35) ARKDM4EALDH1A1LMNAHPGD
SCHEMBL21397200 0.83 AR (0.41) GRIA1GRIA3PDE4DARGRM5
SCHEMBL21397047 0.83 HDAC6 (0.35) GRIA1GRIA3PDE4DARGRM5
SCHEMBL21396738 0.82 AR (0.37) GRIA1GRIA3PDE4DARGRM5
SCHEMBL18251675 0.81 P2RX4 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21397028 0.81 GRIA1 (0.34) GRIA1GRIA3PDE4DARGRM5
SCHEMBL21397151 0.80 GPR119 (0.33) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL19344959 0.77 KDM4E (0.35) ARKDM4EALDH1A1LMNAHPGD
SCHEMBL22065078 0.74 GRM5 (0.39) GRM5KDM4EALDH1A1

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 GRIA1 2754/4885GRIA3 3646/4885PDE4D 4735/4885

“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.