SCHEMBL15904104

SCHEMBL15904104

CCNc1nc(SC)nc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.43
▸ PGK1 P00558 7/20 0.36
▸ TLR8 Q9NR97 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA13 Q8N1Q1 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL11582545 0.82 LMNA (0.38) PDE10APGK1GSK3BMAP4K2CA1
SCHEMBL15904291 0.81 PDE10A (0.42) PDE10APGK1TLR8LMNAABCB1
SCHEMBL21274191 0.79 CA1 (0.39) PDE10APGK1GSK3BMAP4K2CA1
SCHEMBL24701332 0.76 CA1 (0.36) CA1CA2CA7CA13HSP90AA1
SCHEMBL11859674 0.73 TDP1 (0.46) PGK1LMNACYP1A2CYP2C19
SCHEMBL15904120 0.72 LMNA (0.36) PDE10APGK1GSK3BMAP4K2CA1
SCHEMBL31512692 0.72 LMNA (0.36) PDE10APGK1GSK3BMAP4K2CA1
SCHEMBL11372913 0.72 TLR8 (0.44) PDE10APGK1TLR8GSK3BMAP4K2
SCHEMBL11191903 0.71 HSP90AB1 (0.40) CA1CA2CA7CA13HSP90AA1
SCHEMBL15904001 0.70 PDE10A (0.41) PDE10APGK1TLR8LMNA

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 3/4885PGK1 627/4885TLR8 4141/4885

“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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