SCHEMBL1011035

SCHEMBL1011035

CC1=NCCc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
TYMS P04818 2/20 0.42
F7 P08709 1/20 0.42
PARP1 P09874 1/20 0.42
F3 P13726 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 3/20 0.38
MAPK9 P45984 1/20 0.37
MAPK14 Q16539 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL31164726 0.85 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL1009906 0.81 MAOA (0.53) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL30656741 0.78 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL29405492 0.78 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL1010472 0.78 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL7993632 0.78 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL1009165 0.78 MAOA (0.50) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL28739461 0.77 MAOA (0.58) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL1010356 0.75 MAOA (0.60) MAOAMAPTKDM4EALDH1A1GAA
SCHEMBL29664763 0.75 MAOA (0.60) MAOAMAPTKDM4EALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
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-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-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-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
CN-101501036-A Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA (DE) 2009-08-05 CN 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
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
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
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-5578728-A Process for the preparation of a benzo(a)quinolizione derivative HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5561233-A Process for the preparation of an intermediate of a benzo[a]quinolizinone derivative HOFFMANN-LA ROCHE INC. (US) 1996-10-01 US disclosed
EP-0650966-A1 Process for the preparation of a benzo(a)quinolizinone derivative F. HOFFMANN-LA ROCHE AG (CH) 1995-05-03 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 MAOA 3070/4885MAPT 2143/4885KDM4E 1101/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MAOA 2896/4885MAPT 2936/4885KDM4E 1357/4885

“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.