SCHEMBL21396744

SCHEMBL21396744

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccncc2-n2c3ccccc3c3ccccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.38
HTT P42858 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
UCHL1 P09936 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
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL21396742 0.91 PDE10A (0.38) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL21396775 0.91 HTT (0.41) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL21396657 0.88 PDE10A (0.38) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL19755271 0.84 SMN1; SMN2 (0.43) HTTSMN1; SMN2HIF1AGAA
SCHEMBL21396778 0.83 HTT (0.41) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL21396777 0.82 HTT (0.40) PDE10AHTTCYP11B2NCOA3CDK5
SCHEMBL21396746 0.82 SMN1; SMN2 (0.35) CYP11B2SMN1; SMN2HIF1ASLC22A12
SCHEMBL21396958 0.82 HTT (0.39) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL21396723 0.82 NCOA3 (0.37) PDE10AHTTCYP11B2SMN1; SMN2HIF1A
SCHEMBL22378435 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HIF1A

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.