SCHEMBL15904208

SCHEMBL15904208

Nc1nc(-n2cc(-c3ccncc3)cn2)nc(Cl)c1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.50
MELK Q14680 2/20 0.42
ADORA2A P29274 6/20 0.41
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL15904271 0.88 PDE10A (0.48) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15904056 0.88 PDE10A (0.57) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15904189 0.81 PDE10A (0.72) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL2552620 0.81 PDE10A (0.45) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15904346 0.81 PDE10A (0.63) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15904205 0.81 PDE10A (0.75) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL2576944 0.76 KMT2A (0.45) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15904098 0.75 PDE10A (0.61) PDE10AADORA2AADORA3ADORA2BADORA1
SCHEMBL15905011 0.75 PDE10A (0.74) PDE10AADORA2A
SCHEMBL28042544 0.74 PDE10A (0.45) PDE10AMELKADORA2AADORA3ADORA1

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 3/4885MELK 3648/4885ADORA2A 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.