SCHEMBL1009957

SCHEMBL1009957

O=[N+]([O-])C=Cc1cccc2c1OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
RXRA P19793 1/20 0.49
PRMT1 Q99873 1/20 0.44
FBP1 P09467 7/20 0.43
VCP P55072 2/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
MITF O75030 3/20 0.41
HSP90AA1 P07900 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.38
NTSR1 P30989 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1009956 1.00 KDM4E (0.56) KDM4ERXRAPRMT1FBP1VCP
SCHEMBL1010263 0.87 VCP (0.53) KDM4ERXRAPRMT1FBP1VCP
SCHEMBL1010264 0.87 VCP (0.53) KDM4ERXRAPRMT1FBP1VCP
SCHEMBL20564253 0.80 ALDH1A1 (0.44) KDM4ERXRAPRMT1FBP1VCP
SCHEMBL20564254 0.80 ALDH1A1 (0.44) KDM4ERXRAPRMT1FBP1VCP
SCHEMBL34462932 0.79 RXRA (0.47) RXRAPRMT1FBP1VCPTLR4
SCHEMBL1012582 0.75 KDM4E (0.61) KDM4ELMNAHTTSMN1; SMN2ITGB2
SCHEMBL2089142 0.74 KDM4E (0.60) KDM4EALDH1A1LMNAMAPK1HTT
SCHEMBL2089139 0.74 KDM4E (0.60) KDM4EALDH1A1LMNAMAPK1HTT
SCHEMBL2962443 0.73 MAPT (0.47) KDM4EALDH1A1MAPTSMN1; SMN2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 KDM4E 1101/4885RXRA 1378/4885PRMT1 137/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 KDM4E 1357/4885RXRA 1195/4885PRMT1 212/4885

“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.