SCHEMBL21453323

SCHEMBL21453323

CC(C)(C)Cc1ccc2c(n1)c1ncccc1n2-c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
CYP2E1 P05181 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP3A4 P08684 2/20 0.34
GSR P00390 1/20 0.34
CYP1A2 P05177 3/20 0.33
METAP2 P50579 3/20 0.33
ALOX12 P18054 1/20 0.33
CYP11B2 P19099 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
ELANE P08246 1/20 0.32
MAT2A P31153 5/20 0.31
PRMT5 O14744 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL9968126 0.80 PDE10A (0.44) PDE10ACYP3A4KMT2A
SCHEMBL21453326 0.79 CYP1A2 (0.41) PDE10ACYP2E1CYP2A6CYP3A4CYP1A2
SCHEMBL23439034 0.70 CYP1A2 (0.46) CYP2E1CYP2A6CYP3A4GSRCYP1A2
SCHEMBL30578145 0.70 CCR1 (0.55) PDE10ACYP3A4METAP2
SCHEMBL17921511 0.70 CCR1 (0.55) PDE10ACYP3A4METAP2
SCHEMBL1611068 0.69 CYP1A2 (0.46) CYP2E1CYP2A6CYP3A4GSRCYP1A2
SCHEMBL21453320 0.69 RORC (0.33) PDE10ACYP3A4CYP1A2METAP2
SCHEMBL21008882 0.68 EGLN1 (0.33) PDE10ACYP2E1CYP2A6CYP3A4GSR
SCHEMBL9968069 0.67 PDE10A (0.34) PDE10AKMT2A
SCHEMBL16625781 0.67 CYP1A2 (0.46) CYP2E1CYP2A6CYP3A4GSRCYP1A2

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 PDE10A 3529/4885CYP2E1 332/4885CYP2A6 3277/4885

“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.