SCHEMBL21396713

SCHEMBL21396713

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.38
PTGER4 P35408 1/20 0.35
IMPDH2 P12268 1/20 0.35
DYRK1A Q13627 4/20 0.34
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
CLK1 P49759 3/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19062227 0.84 IMPDH2 (0.43) NCOA3IMPDH2DYRK1ACLK1KDM4E
SCHEMBL29412292 0.84 IMPDH2 (0.43) NCOA3IMPDH2DYRK1ACLK1KDM4E
SCHEMBL21396954 0.83 GRM5 (0.35) NCOA3PTGER4IMPDH2DYRK1ANPSR1
SCHEMBL21396953 0.80 IMPDH2 (0.34) NCOA3PTGER4IMPDH2DYRK1ANPSR1
SCHEMBL21396725 0.80 IMPDH2 (0.34) NCOA3IMPDH2DYRK1ACLK1NPSR1
SCHEMBL16865110 0.79 IMPDH2 (0.47) NCOA3IMPDH2DYRK1ACLK1KDM4E
SCHEMBL29454044 0.79 IMPDH2 (0.47) NCOA3IMPDH2DYRK1ACLK1KDM4E
SCHEMBL29362692 0.79 IMPDH2 (0.47) NCOA3IMPDH2DYRK1ACLK1KDM4E
SCHEMBL20437435 0.78 NCOA3 (0.47) NCOA3IMPDH2DYRK1ACDK5CDK5R1
SCHEMBL22729856 0.78 MEN1 (0.35) NCOA3IMPDH2DYRK1ACDK5CDK5R1

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 NCOA3 1772/4885PTGER4 2404/4885IMPDH2 2606/4885

“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.