SCHEMBL6708285

SCHEMBL6708285

COC(=O)C=C1CCC(c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TSHR P16473 4/20 0.39
CHRM4 P08173 1/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL6767728 0.86 PTPN12 (0.44) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL6708311 0.86 MAPT (0.42) PTPN12PTPN22SMN1; SMN2MAPTHTT
Bicarbonate SCHEMBL7012008 0.86 PTPN12 (0.63) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL7666149 0.85 PTPN12 (0.61) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL8184394 0.84 PTPN12 (0.64) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL6709562 0.83 PTPN12 (0.64) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL6711626 0.80 MAPT (0.42) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL5251584 0.78 PTPN12 (0.49) PTPN12PTPN22SMN1; SMN2MAPTHTT
Bicarbonate SCHEMBL7011933 0.78 PTPN12 (0.57) PTPN12PTPN22SMN1; SMN2MAPTHTT
SCHEMBL8178899 0.77 PTPN12 (0.49) PTPN12PTPN22POLB

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-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-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-15 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
US-20040034040-A1 Use of thienopyrimidines MERCK PATENT GMBH (DE) 2004-02-19 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 (4 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 PTPN12 1903/4885PTPN22 1940/4885SMN1; SMN2 4332/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PTPN12 2787/4885PTPN22 2711/4885SMN1; SMN2 4122/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS PTPN12 2001/4885PTPN22 1670/4885SMN1; SMN2 2771/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS PTPN12 2786/4885PTPN22 2788/4885SMN1; SMN2 1923/4885

“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.