SCHEMBL21396778

SCHEMBL21396778

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cnccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.39
SLC22A12 Q96S37 11/20 0.36
CDK5 Q00535 2/20 0.35
DYRK1A Q13627 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
IDO1 P14902 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34

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
SCHEMBL21396742 0.91 PDE10A (0.38) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL21396775 0.90 HTT (0.41) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL21397053 0.88 HTT (0.39) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL21396719 0.88 NCOA3 (0.37) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL19755213 0.85 CA1 (0.40) CA1CA2SMN1; SMN2HIF1A
SCHEMBL21396774 0.84 HTT (0.40) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL21396744 0.83 PDE10A (0.38) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL21927860 0.83 NCOA3 (0.41) HTTNCOA3SLC22A12CDK5DYRK1A
SCHEMBL19062208 0.82 CA1 (0.44) HTTCA1CA2SMN1; SMN2HIF1A
SCHEMBL21927220 0.82 NCOA3 (0.40) HTTNCOA3SLC22A12CDK5DYRK1A

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 HTT 1128/4885NCOA3 1772/4885SLC22A12 224/4885

“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.