SCHEMBL2808414

SCHEMBL2808414

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCc5cccc6ccccc56)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
NPBWR1 P48145 2/20 0.40
CLPP Q16740 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
BCHE P06276 1/20 0.37
HRH1 P35367 2/20 0.37
HRH4 Q9H3N8 2/20 0.37
APP P05067 1/20 0.37
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2808269 0.90 CLPP (0.48) CLPPHRH1HRH4APPKDM4E
SCHEMBL13145454 0.87 CLPP (0.46) CLPPHRH1HRH4APPKDM4E
SCHEMBL2814131 0.86 CLPP (0.45) OPRK1NPBWR1CLPPHRH1HRH4
SCHEMBL2814449 0.85 ADORA3 (0.42) CLPPHRH1HRH4ALDH1A1SIGMAR1
SCHEMBL2809338 0.85 CLPP (0.39) CLPPHRH1HRH4KDM4EALDH1A1
SCHEMBL2811706 0.84 TUBB4A (0.44) CLPPHRH1HRH4KDM4EALDH1A1
SCHEMBL2810384 0.84 EGFR (0.44) CLPPKDM4EALDH1A1MEN1KMT2A
SCHEMBL2810351 0.83 OPRK1 (0.41) OPRK1CLPPBCHEMEN1KMT2A
SCHEMBL2811020 0.83 PDE5A (0.40) OPRK1CLPPBCHEALDH1A1MEN1
SCHEMBL2814236 0.83 CLPP (0.39) CLPPHRH1HRH4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 OPRK1 3411/4885NPBWR1 4342/4885CLPP 2832/4885

“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.