SCHEMBL4529800

SCHEMBL4529800

CN(C)c1ccc2c(n1)[nH]c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.50
PDE3A Q14432 12/20 0.50
PDE2A O00408 10/20 0.50
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.37
ADORA2B P29275 2/20 0.37
P2RY12 Q9H244 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL2265641 0.77 PDE3B (0.55) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL11435434 0.76 PDE3B (0.53) PDE3BPDE3APDE2AADORA2ALMNA
SCHEMBL23097107 0.73 PDE3B (0.50) PDE3BPDE3APDE2AADORA2ALMNA
SCHEMBL13194526 0.73 PDE3B (0.55) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL20772444 0.71 PDE3A (0.55) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL30832838 0.71 PDE3A (0.55) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL4529795 0.71 PDE3B (0.35) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL13194946 0.67 PDE3B (0.48) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL1163568 0.67 DAO (0.64) PDE3BPDE3APDE2AADORA2ALMNA
SCHEMBL19152949 0.67 RXFP1 (0.47) PDE3BPDE3APDE2AADORA2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PDE3B 2289/4885PDE3A 2331/4885PDE2A 3139/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK PDE3B 2972/4885PDE3A 2949/4885PDE2A 4008/4885

“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.