SCHEMBL863434

SCHEMBL863434

Clc1nccc2ccnn12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
EGLN1 Q9GZT9 1/20 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
SCHEMBL12559816 0.71 EGLN1 (0.30) EGLN1
SCHEMBL13454688 0.71 CCR1 (0.36) EGLN1
SCHEMBL30977382 0.70 PDE10A (0.35) PDE10ADRD2DRD4DRD3EGLN1
SCHEMBL14649428 0.68 PDE10A (0.42) PDE10A
SCHEMBL21672737 0.67 DGAT1 (0.35)
SCHEMBL31329953 0.67 PDE10A (0.33) PDE10ADRD2DRD4DRD3EGLN1
SCHEMBL31750959 0.67 NR4A1 (0.33)
SCHEMBL13138545 0.64 ADORA3 (0.38)
SCHEMBL23536428 0.63 EGLN1 (0.41) EGLN1
SCHEMBL18949212 0.63 MAPK1 (0.33)

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
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PDE10A 1743/4885DRD2 3278/4885DRD4 3866/4885

“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.