SCHEMBL1010133

SCHEMBL1010133

CC1c2cc(Cl)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.38
ESR2 Q92731 1/20 0.38
QRFPR Q96P65 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
SCHEMBL1010219 0.92 GRM5 (0.57) GRM5ALDH1A1HPGDKMT2AGAA
SCHEMBL1010001 0.92 GRM5 (0.49) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1009049 0.91 GRM5 (0.51) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL1010117 0.91 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL4080116 0.90 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1010650 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL15020037 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL1009851 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1011624 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL1008965 0.89 GRM5 (0.47) GRM5ALDH1A1HPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012139876-A1 ENTERIC FORMULATIONS OF METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-18 WO claimed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US claimed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US claimed
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 claimed
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 claimed
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 claimed
US-20150165756-A1 STENCILS DTG INT GMBH (CH) 2015-06-18 US disclosed
WO-2013087815-A1 LIQUID PHARMACEUTICAL COMPOSITION CONTAINING A PYRAZOLOPYRIMIDINE DERIVATIVE AND PHARMACEUTICAL USES THEREOF MERZ PHARMA GMBH & CO. KGAA (DE) 2013-06-20 WO disclosed
WO-2013087808-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLOPYRIMIDME AND CYCLODEXTRIN MERZ PHARMA GMBH & CO. KGAA (DE) 2013-06-20 WO disclosed
WO-2012139876-A1 ENTERIC FORMULATIONS OF METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-18 WO 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
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-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

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 GRM5 1/4885ALDH1A1 2895/4885HPGD 1897/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ALDH1A1 3094/4885HPGD 1267/4885

“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.