SCHEMBL2911328

SCHEMBL2911328

COC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL6366922 0.84 MAPT (0.36) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2911881 0.83 KDM4E (0.34) SMN1; SMN2KDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL331623 0.80 KDM4C (0.61) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL1558734 0.79 KDM4C (0.50) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL6740770 0.77 PRKAB2 (0.31) SMN1; SMN2KDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL4038517 0.76 KDM4C (0.56) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL6689443 0.76 KDM4C (0.46) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL27642437 0.75 KDM4C (0.54) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL21625525 0.73 MAPT (0.37) SMN1; SMN2MAPTRAB9AMAPK1NPC1
SCHEMBL1558719 0.73 MAPT (0.40) SMN1; SMN2KDM4EMAPTRAB9AMAPK1

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
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
WO-2004098608-A1 PYRAZOLO [4, 3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS OF USE ÚSTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-11-18 WO disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 KDM4C 1532/4885SMN1; SMN2 2622/4885KDM4E 4054/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO KDM4C 1208/4885SMN1; SMN2 3566/4885KDM4E 2102/4885

“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.