SCHEMBL21396658

SCHEMBL21396658

N#Cc1cccc(-c2cccc(-c3cnccc3-n3c4ccccc4c4ccccc43)c2C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
SLC22A12 Q96S37 10/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CDK5 Q00535 2/20 0.32
DYRK1A Q13627 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
IDO1 P14902 1/20 0.31
DUSP3 P51452 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
SCHEMBL21396774 0.95 HTT (0.40) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL21396657 0.91 PDE10A (0.38) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL21396742 0.88 PDE10A (0.38) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL21396777 0.86 HTT (0.40) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL21396943 0.85 HTT (0.39) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL21397060 0.85 NCOA3 (0.37) PDE10AHTTCYP11B2NCOA3SLC22A12
SCHEMBL19755260 0.84 SMN1; SMN2 (0.43) HTTNCOA3SMN1; SMN2HIF1ADUSP3
SCHEMBL22377480 0.83 SMN1; SMN2 (0.42) HTTNCOA3SMN1; SMN2HIF1ADUSP3
SCHEMBL21397000 0.82 CYP11B2 (0.40) PDE10ACYP11B2NCOA3SLC22A12CDK5
SCHEMBL21396906 0.82 CYP11B2 (0.36) PDE10ACYP11B2NCOA3SLC22A12CDK5

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 PDE10A 4559/4885HTT 1128/4885CYP11B2 1859/4885

“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.