SCHEMBL21396743

SCHEMBL21396743

N#Cc1cccc(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)n2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.37
DYRK1A Q13627 5/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
CLK1 P49759 3/20 0.34
CLK2 P49760 3/20 0.34
CLK3 P49761 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
DYRK1B Q9Y463 3/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
PDE10A Q9Y233 1/20 0.33
DUSP3 P51452 1/20 0.33
CNR2 P34972 1/20 0.32
TGFBR1 P36897 1/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 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
SCHEMBL21396943 0.91 HTT (0.39) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21396777 0.90 HTT (0.40) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21396958 0.87 HTT (0.39) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21396657 0.85 PDE10A (0.38) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21397054 0.84 NCOA3 (0.37) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21396774 0.82 HTT (0.40) HTTNCOA3DYRK1ACDK5CDK5R1
SCHEMBL21396741 0.81 TGFBR1 (0.39) DYRK1AGABRA1GABRG2GABRB3GABRA3
SCHEMBL21397146 0.81 CDK4 (0.35) NCOA3DYRK1ACLK4GSK3BCYP11B2
SCHEMBL21396962 0.80 CDK4 (0.35) NCOA3DYRK1ACLK4GSK3BCYP11B2
SCHEMBL21396775 0.79 HTT (0.41) HTTNCOA3DYRK1ACDK5CDK5R1

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 HTT 1128/4885NCOA3 1772/4885DYRK1A 4266/4885

“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.