SCHEMBL863844

SCHEMBL863844

Nc1nc(Cl)nc2ccnn12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
KCNN3 Q9UGI6 10/20 0.36
KCNN1 Q92952 2/20 0.36
KCNN2 Q9H2S1 2/20 0.36
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
DGAT1 O75907 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 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
SCHEMBL31625491 0.79 PDE10A (0.52) PDE10AKCNN3KCNN1KCNN2
SCHEMBL5421748 0.79 PDE10A (0.42) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL30363704 0.76 PDE10A (0.40) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL7493929 0.76 PDE10A (0.40) PDE10AKCNN3CHEK1CCNA2CDK2
SCHEMBL25421401 0.72 PDE10A (0.37) PDE10AKCNN3CHEK1CCNA2CDK2
SCHEMBL18478012 0.72 DGAT1 (0.40) PDE10AKCNN3CCNA2CDK2CCNA1
SCHEMBL7490786 0.72 PRKAB2 (0.37) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL15232215 0.72 NPC1 (0.51) PDE10ACHEK1CCNA2CDK2CCNA1
SCHEMBL1018372 0.71 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL30974 0.71 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CHEK1

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 1743/4885KCNN3 1241/4885KCNN1 1624/4885

“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.