SCHEMBL3179979

SCHEMBL3179979

O=[N+]([O-])c1cccc(CNCCNc2ncnc3scc(-c4ccccc4)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
NOD1 Q9Y239 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
PIP4K2C Q8TBX8 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL13527756 0.83 TNF (0.54) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3168365 0.82 CCNC (0.55) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3170635 0.81 MAPK1 (0.52) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3169208 0.80 ALDH1A1 (0.60) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3170293 0.80 CCNC (0.63) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3173365 0.79 CCNC (0.53) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3184552 0.79 CCNC (0.54) CCNCCDK8TNFMAPK1NOD1
SCHEMBL2369595 0.76 MAPK1 (0.63) CCNCCDK8TNFMAPK1NOD1
SCHEMBL2369277 0.75 CCNC (0.78) CCNCCDK8TNFMAPK1NOD1
SCHEMBL3172069 0.75 LMNA (0.59) CCNCCDK8TNFMAPK1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576080-B2 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-08-18 US claimed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US claimed
EP-1831229-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceutical Corporation (US) 2007-09-12 EP claimed
WO-2006071988-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORP. (US) 2006-07-06 WO claimed
US-20100010017-A1 CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-14 US disclosed
US-20100010017-A1 CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-14 US disclosed
US-7576080-B2 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-08-18 US disclosed
US-7576080-B2 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-08-18 US disclosed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US disclosed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US disclosed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US disclosed
EP-1831229-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceutical Corporation (US) 2007-09-12 EP disclosed
WO-2006071988-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORP. (US) 2006-07-06 WO disclosed
WO-2006071988-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORP. (US) 2006-07-06 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 (2 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-20100010017-A1 CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE12, PDE4A, PDE7A CCNC 4373/4885CDK8 895/4885TNF 4422/4885
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors PDE12, PDE7A, PDE7B CCNC 4317/4885CDK8 532/4885TNF 4065/4885

“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.