SCHEMBL15905153

SCHEMBL15905153

C#CCNc1nc(-n2cc(-c3ccccn3)cn2)nc(NCC)c1Br

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.81
ADORA3 P0DMS8 3/20 0.50
ADORA1 P30542 3/20 0.50
ADORA2A P29274 1/20 0.50
GRM5 P41594 1/20 0.42
MKNK1 Q9BUB5 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL15903954 0.90 PDE10A (0.81) PDE10AADORA3ADORA1ADORA2AGRM5
SCHEMBL15904970 0.90 PDE10A (1.00) PDE10AADORA3ADORA1ADORA2AGRM5
SCHEMBL15905070 0.88 PDE10A (0.81) PDE10AADORA3ADORA1ADORA2AGRM5
SCHEMBL15905551 0.88 PDE10A (0.75) PDE10AADORA3ADORA1ADORA2A
SCHEMBL15904927 0.87 PDE10A (0.78) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15905190 0.84 PDE10A (0.69) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15904993 0.83 PDE10A (0.70) PDE10AADORA3ADORA1ADORA2A
SCHEMBL15905349 0.79 PDE10A (0.66) PDE10AADORA3ADORA1ADORA2AGRM5
SCHEMBL15905374 0.76 PDE10A (1.00) PDE10AADORA2A
SCHEMBL15905470 0.75 PDE10A (0.74) PDE10AADORA3ADORA1ADORA2A

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 10 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
EP-2948443-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-12-02 EP disclosed
US-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-11-26 US disclosed
WO-2014114695-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L (ES) 2014-07-31 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-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PDE12, PDE5A, PDE10A PDE10A 3/4885ADORA3 338/4885ADORA1 170/4885

“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.