SCHEMBL6763240

SCHEMBL6763240

CC(=O)ON=C(N)c1ccc(CN(CCCN2CCCC2)C(=O)CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.79
AVPR1A P37288 7/20 0.37
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
NAMPT P43490 1/20 0.33
C5AR1 P21730 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1B P47901 1/20 0.33
AHCY P23526 1/20 0.32

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
SCHEMBL6763237 1.00 BDKRB1 (0.79) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6766417 0.98 BDKRB1 (0.82) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6766411 0.98 BDKRB1 (0.82) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6759967 0.96 BDKRB1 (0.75) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6759964 0.96 BDKRB1 (0.75) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL7138551 0.93 BDKRB1 (0.68) BDKRB1AVPR1ALMNAC5AR1AHCY
SCHEMBL6763203 0.93 BDKRB1 (0.83) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6763320 0.93 BDKRB1 (0.83) BDKRB1AVPR1AMEN1ALDH1A1KMT2A
SCHEMBL6764010 0.91 BDKRB1 (0.86) BDKRB1AVPR1A
SCHEMBL6764002 0.91 BDKRB1 (0.86) BDKRB1AVPR1A

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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 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 (3 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR BDKRB1 162/4885AVPR1A 2181/4885MEN1 3785/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR BDKRB1 21/4885AVPR1A 156/4885MEN1 3633/4885
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB BDKRB1 481/4885AVPR1A 1531/4885MEN1 3527/4885

“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.