SCHEMBL21396774

SCHEMBL21396774

N#Cc1cccc(-c2cnccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.38
PDE10A Q9Y233 1/20 0.36
SLC22A12 Q96S37 12/20 0.36
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDO1 P14902 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
DUSP3 P51452 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
SCHEMBL21396658 0.95 PDE10A (0.38) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL21396777 0.90 HTT (0.40) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL21396943 0.90 HTT (0.39) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL21397060 0.90 NCOA3 (0.37) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL21396657 0.86 PDE10A (0.38) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL19755216 0.85 IMPDH2 (0.38) HTTDUSP3
SCHEMBL22378234 0.84 CYP11B2 (0.38) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL19062207 0.84 IMPDH2 (0.43) HTTDUSP3
SCHEMBL21396778 0.84 HTT (0.41) HTTNCOA3PDE10ASLC22A12CDK5
SCHEMBL21397054 0.82 NCOA3 (0.37) HTTNCOA3PDE10ACDK5DYRK1A

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 1772/4885PDE10A 4559/4885

“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.