SCHEMBL1758620

SCHEMBL1758620

COC(=O)Cn1cc(-c2ccncc2)c(-c2ccc(O)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A3 Q01959 2/20 0.44
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK13 O15264 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL11996182 0.82 SLC6A3 (0.55) SLC6A3PDE10A
SCHEMBL1758612 0.81 SLC6A3 (0.72) SLC6A3PDE10A
SCHEMBL24950777 0.80 BRAF (0.57) BRAFMEN1KMT2ASLC6A3MAPK3
SCHEMBL1758497 0.80 PDE10A (0.51) SLC6A3PDE10A
SCHEMBL1758722 0.79 PDE10A (0.71) SLC6A3PDE10A
SCHEMBL187150 0.79 PDE10A (0.70) PDE10A
SCHEMBL17088198 0.78 BRAF (0.60) BRAFMEN1KMT2ASLC6A3MAPK3
SCHEMBL29280467 0.77 BRAF (0.44) BRAFMEN1KMT2ASLC6A3MAPK3
SCHEMBL5256066 0.77 MAPK14 (0.62) BRAFMEN1KMT2ASLC6A3MAPK13
SCHEMBL24951243 0.76 BRAF (0.43) BRAFMEN1KMT2ASLC6A3MAPK3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
US-20120213703-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN-CILAG S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2012-08-23 US disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011051324-A1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO 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-20120213703-A1 RADIOLABELLED PDE10 LIGANDS PDE9A, PDE10A, PDE7A BRAF 4475/4885MEN1 1200/4885KMT2A 3151/4885

“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.