SCHEMBL21397057

SCHEMBL21397057

N#Cc1cc(-c2cnc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
PLAUR Q03405 1/20 0.30
NPC1 O15118 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29412276 0.86 IMPDH2 (0.43) IMPDH2ALDH1A1NPSR1TDP1SMN1; SMN2
SCHEMBL19062514 0.86 IMPDH2 (0.43) IMPDH2ALDH1A1NPSR1TDP1SMN1; SMN2
SCHEMBL21396794 0.83 FNTA (0.32) PTGER4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21397046 0.83 PTGER4 (0.32) PTGER4
SCHEMBL21396646 0.82 PLAUR (0.36) PTGER4IMPDH2ALDH1A1NPSR1TDP1
SCHEMBL21396940 0.81 PTGER4 (0.33) PTGER4IMPDH2
SCHEMBL21396769 0.81 PTGER4 (0.33) PTGER4ALDH1A1KDM4EMAPTHPGD
SCHEMBL20437436 0.80 NCOA3 (0.43) IMPDH2CNR2NCOA3
SCHEMBL19062513 0.80 IMPDH2 (0.43) IMPDH2ALDH1A1TDP1NCOA3SMN1; SMN2
SCHEMBL21396991 0.80 NPSR1 (0.33) PTGER4IMPDH2ALDH1A1NPSR1CNR1

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 PTGER4 2404/4885IMPDH2 2606/4885ALDH1A1 825/4885

“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.