SCHEMBL15904120

SCHEMBL15904120

CCNc1nc(SC)nc(Cl)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA7 P43166 5/20 0.36
▸ CA13 Q8N1Q1 5/20 0.36
▸ PGK1 P00558 6/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MAP4K2 Q12851 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 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
SCHEMBL11582545 0.82 LMNA (0.38) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL15904058 0.82 PDE10A (0.36) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL15904291 0.81 PDE10A (0.42) LMNAPGK1PDE10ACYP1A2CYP2C19
SCHEMBL31512692 0.79 LMNA (0.36) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL21274191 0.79 CA1 (0.39) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL31512678 0.76 PGK1 (0.38) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL11676388 0.73 TLR7 (0.47) LMNAPPARGHTTSMN1; SMN2CA1
SCHEMBL15904104 0.72 PDE10A (0.43) LMNACA1CA2CA7CA13
SCHEMBL15904144 0.70 PGK1 (0.33) LMNAPGK1PDE10A
SCHEMBL22715908 0.70 CYP1A2 (0.39) LMNAKMT2ACYP1A2CYP2C9CYP2C19

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 LMNA 3449/4885PPARG 945/4885HTT 3833/4885

“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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