SCHEMBL972735

SCHEMBL972735

C=CCOC(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
SNCA P37840 1/20 0.35
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
THRB P10828 1/20 0.32
FGFR1 P11362 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
SCHEMBL3827239 0.81 POLB (0.48) HPGDPOLBKMT2AMAPTTP53
SCHEMBL11883754 0.77 KMT2A (0.50) HPGDCYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL23534328 0.77 ESR1 (0.49) HPGDCYP3A4ALDH1A1TSHRMAPT
SCHEMBL970444 0.77 ALDH1A1 (0.45) HPGDCYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL25449 0.76 MAPK1 (0.57) HPGDPOLBKMT2AMAPTSMN1; SMN2
SCHEMBL6722955 0.75 HPGD (0.46) HPGDCYP3A4ALDH1A1TSHRPOLB
SCHEMBL14688254 0.72 HPGD (0.46) HPGDALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL26820 0.72 HPGD (0.54) HPGD
SCHEMBL1883398 0.71 CYP3A4 (0.41) HPGDCYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL42514 0.71 HPGD (0.52) HPGDCYP3A4ALDH1A1TSHRKMT2A

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 18 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
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 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
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US 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-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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
EP-2054421-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US 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-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO 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
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
WO-2008015270-A1 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 (5 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 HPGD 720/4885CYP3A4 821/4885ALDH1A1 2888/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 HPGD 1897/4885CYP3A4 749/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 HPGD 1267/4885CYP3A4 589/4885ALDH1A1 3094/4885
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 HPGD 1780/4885CYP3A4 671/4885ALDH1A1 4053/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HPGD 1132/4885CYP3A4 786/4885ALDH1A1 2588/4885

“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.