SCHEMBL15904144

SCHEMBL15904144

CCNc1nc([S+](C)[O-])nc(Cl)c1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 4/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL15904238 0.83 PDE10A (0.35) PDE10A
SCHEMBL15904125 0.82 PDE10A (0.40) PGK1PDE10A
SCHEMBL15904001 0.74 PDE10A (0.41) PGK1PDE10ALMNA
SCHEMBL2549958 0.72 KMT2A (0.39) LMNA
SCHEMBL30487819 0.72 KMT2A (0.39) LMNA
SCHEMBL15904120 0.70 LMNA (0.36) PGK1PDE10ALMNA
SCHEMBL24701416 0.65 JAK2 (0.31) —
SCHEMBL16120423 0.61 PGK1 (0.31) PGK1
SCHEMBL17709564 0.61 PGK1 (0.31) PGK1
SCHEMBL11658569 0.59 ADORA3 (0.43) PDE10ALMNA

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 PGK1 627/4885PDE10A 3/4885LMNA 3449/4885

“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.

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