SCHEMBL21396672

SCHEMBL21396672

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)nc2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
ESR2 Q92731 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGES O14684 1/20 0.34
SSTR2 P30874 3/20 0.34
F10 P00742 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 1/20 0.33
DUSP3 P51452 1/20 0.33
SSTR4 P31391 1/20 0.33
IMPDH2 P12268 1/20 0.33
NR3C1 P04150 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL22378289 0.89 PTGER4 (0.35) CNR2TRPA1SSTR2ALOX5APFEN1
SCHEMBL21928076 0.88 EGLN2 (0.39) ESR2TRPA1PTGESSSTR2ALOX5AP
SCHEMBL28564875 0.81 MAPK14 (0.40) ESR2ALDH1A1NPSR1TDP1IMPDH2
SCHEMBL21397124 0.81 PTGER4 (0.36) CNR2ALDH1A1NPSR1TDP1PTGER4
SCHEMBL19062207 0.81 IMPDH2 (0.43) ESR2ALDH1A1NPSR1TDP1DUSP3
SCHEMBL19755304 0.80 KDM4E (0.43) ESR2TRPA1ALDH1A1TDP1IMPDH2
SCHEMBL21397068 0.80 ALDH1A1 (0.35) CNR2EGLN1TRPA1ALOX5APFEN1
SCHEMBL21396669 0.80 CNR2 (0.39) CNR2PTGESALDH1A1NPSR1TDP1
SCHEMBL22378505 0.79 KDM4E (0.42) ESR2TRPA1ALDH1A1IMPDH2NR3C1
SCHEMBL20282486 0.79 EGLN2 (0.42) PTGER4DUSP3

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
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 CNR2 3596/4885ESR2 173/4885EGLN1 727/4885

“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.