SCHEMBL21396657

SCHEMBL21396657

N#Cc1cccc(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.38
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
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
SLC22A12 Q96S37 2/20 0.31
DUSP3 P51452 1/20 0.31
CNR2 P34972 1/20 0.31
SLC6A2 P23975 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL21396777 0.95 HTT (0.40) PDE10AHTTCYP11B2NCOA3CDK5
SCHEMBL21396658 0.91 PDE10A (0.38) PDE10AHTTCYP11B2NCOA3SMN1; SMN2
SCHEMBL21396744 0.88 PDE10A (0.38) PDE10AHTTCYP11B2NCOA3SMN1; SMN2
SCHEMBL21396774 0.86 HTT (0.40) PDE10AHTTCYP11B2NCOA3CDK5
SCHEMBL21396743 0.85 HTT (0.39) PDE10AHTTCYP11B2NCOA3CDK5
SCHEMBL21397054 0.85 NCOA3 (0.37) PDE10AHTTCYP11B2NCOA3SMN1; SMN2
SCHEMBL19755260 0.84 SMN1; SMN2 (0.43) HTTNCOA3SMN1; SMN2HIF1ADUSP3
SCHEMBL22377480 0.83 SMN1; SMN2 (0.42) HTTNCOA3SMN1; SMN2HIF1ADUSP3
SCHEMBL21396785 0.82 CYP11B2 (0.36) PDE10ACYP11B2NCOA3SLC22A12DUSP3
SCHEMBL19755216 0.81 IMPDH2 (0.38) HTTSMN1; SMN2HIF1ADUSP3

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.