SCHEMBL1866596

SCHEMBL1866596

CC1Cc2sccc2CN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.61
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 4/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ESR1 P03372 3/20 0.45
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.42

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
SCHEMBL1870033 0.88 GRM5 (0.48) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8214117 0.88 GRM5 (0.46) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011447 0.86 GRM5 (0.53) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1008923 0.86 GRM5 (0.53) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010399 0.86 GRM5 (0.53) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3817473 0.84 GRM5 (0.41) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1863985 0.82 ESR2 (0.51) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010706 0.80 ALDH1A1 (0.52) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1868540 0.79 GRM5 (0.64) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8214680 0.79 GRM5 (0.64) GRM5ALDH1A1TDP1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US claimed
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP claimed
EP-2054421-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP claimed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US claimed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO claimed
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
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
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-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-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-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-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 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 (1 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-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 GRM5 1/4885ALDH1A1 4053/4885TDP1 2183/4885

“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.