SCHEMBL15905205

SCHEMBL15905205

Nc1nc(-n2cncn2)nc(Cl)c1Br

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.53
KMT2A Q03164 1/20 0.44
ADORA2A P29274 14/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15903915 0.76 ADORA2A (0.76) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL2551552 0.75 ADORA2A (0.71) PDE10AKMT2AADORA2AADORA3ADORA2B
SCHEMBL30487821 0.75 ADORA2A (0.71) PDE10AKMT2AADORA2AADORA3ADORA2B
SCHEMBL2552620 0.73 PDE10A (0.45) PDE10AKMT2AADORA2AADORA3ADORA2B
SCHEMBL2546094 0.73 ADORA2A (0.76) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL2557652 0.72 KMT2A (0.53) KMT2AADORA2AADORA3ADORA2BADORA1
SCHEMBL2576944 0.71 KMT2A (0.45) PDE10AKMT2AADORA2AADORA3ADORA2B
Pbf-999 SCHEMBL15905362 0.70 PDE10A (1.00) PDE10AADORA2A
SCHEMBL15905211 0.69 PDE10A (1.00) PDE10AADORA2A
SCHEMBL15904208 0.69 PDE10A (0.50) PDE10AKMT2AADORA2AADORA3ADORA2B

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 5 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 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 3/4885KMT2A 2522/4885ADORA2A 152/4885

“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.