SCHEMBL15905378

SCHEMBL15905378

CCNc1nc(-n2cc(-c3ccncn3)cn2)nc(NC2CCOCC2)c1Br

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.68
MKNK1 Q9BUB5 3/20 0.42
EGLN1 Q9GZT9 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
IRAK1 P51617 2/20 0.35
LRRK2 Q5S007 1/20 0.34
TTK P33981 1/20 0.34

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
SCHEMBL15904941 0.95 PDE10A (0.62) PDE10AMKNK1EGLN1ADORA3ADORA2A
SCHEMBL15904251 0.85 PDE10A (0.74) PDE10AMKNK1EGLN1ADORA3ADORA2A
SCHEMBL15904927 0.82 PDE10A (0.78) PDE10AMKNK1ADORA3ADORA2AADORA1
SCHEMBL15904142 0.81 PDE10A (0.81) PDE10AMKNK1ADORA3ADORA2AADORA1
SCHEMBL15905044 0.81 PDE10A (1.00) PDE10AADORA3ADORA2AADORA1
SCHEMBL15905190 0.80 PDE10A (0.69) PDE10AMKNK1EGLN1ADORA3ADORA2A
SCHEMBL15904999 0.74 PDE10A (1.00) PDE10AMKNK1ADORA3ADORA2AADORA1
SCHEMBL28042503 0.74 PDE10A (0.68) PDE10AMKNK1ADORA3ADORA2AADORA1
SCHEMBL15905153 0.69 PDE10A (0.81) PDE10AMKNK1ADORA3ADORA2AADORA1
SCHEMBL15904077 0.69 PDE10A (1.00) PDE10AMKNK1EGLN1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447095-B2 Pyrimidine derivatives as phosphodiesterase 10 inhibitors (PDE-10) PALOBIOFARMA S.L. (ES) 2016-09-20 US claimed
EP-2948443-B1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA SL (ES) 2016-08-31 EP claimed
EP-2948443-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-12-02 EP claimed
US-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-11-26 US claimed
WO-2014114695-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L (ES) 2014-07-31 WO claimed
US-9447095-B2 Pyrimidine derivatives as phosphodiesterase 10 inhibitors (PDE-10) PALOBIOFARMA S.L. (ES) 2016-09-20 US disclosed
EP-2948443-B1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA SL (ES) 2016-08-31 EP disclosed
US-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-11-26 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-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PDE12, PDE5A, PDE10A PDE10A 3/4885MKNK1 3490/4885EGLN1 1962/4885

“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.