SCHEMBL2635826

SCHEMBL2635826

Cc1cc(-c2nccnc2C(=O)N2CCSC2CN)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
GRIN2B Q13224 16/20 0.36
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.36
GRIN1 Q05586 4/20 0.35
CYP2C9 P11712 2/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2056953 0.91 KCNA5 (0.39) PDE10AHCRTR1HCRTR2
SCHEMBL2635825 0.85 PDE10A (0.40) PDE10AHCRTR1HCRTR2GRIN2BGSK3B
SCHEMBL2056990 0.84 HCRTR1 (0.51) PDE10AHCRTR1HCRTR2GRIN2B
SCHEMBL2056818 0.80 HCRTR1 (0.47) PDE10AHCRTR1HCRTR2
SCHEMBL2057025 0.77 CYP1A2 (0.41) HCRTR1HCRTR2
SCHEMBL2635182 0.76 HCRTR1 (0.38) PDE10AHCRTR1HCRTR2
SCHEMBL2636407 0.75 KCNA5 (0.39) HCRTR1HCRTR2
SCHEMBL2057019 0.74 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2057379 0.74 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2635672 0.71 HCRTR1 (0.43) HCRTR1HCRTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR PDE10A 2618/4885HCRTR1 2/4885HCRTR2 1/4885

“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.