SCHEMBL15904001

SCHEMBL15904001

CCNc1nc([S+](C)[O-])nc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PGK1 P00558 2/20 0.31

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
SCHEMBL15904125 0.82 PDE10A (0.40) PDE10ATLR8PGK1
SCHEMBL24701416 0.77 JAK2 (0.31) —
SCHEMBL15904144 0.74 PGK1 (0.33) PDE10ALMNAPGK1
SCHEMBL15904190 0.73 — —
SCHEMBL15904104 0.70 PDE10A (0.43) PDE10ATLR8LMNAPGK1
SCHEMBL15904221 0.67 NOS3 (0.31) —
SCHEMBL11424150 0.65 PDE10A (0.43) PDE10A
SCHEMBL30487819 0.65 KMT2A (0.39) LMNA
SCHEMBL2549958 0.65 KMT2A (0.39) LMNA
SCHEMBL11003079 0.65 LMNA (0.43) LMNA

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 3/4885TLR8 4141/4885LMNA 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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