SCHEMBL1012801

SCHEMBL1012801

CC1c2cc(-c3ccco3)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.44
ALDH1A1 P00352 5/20 0.42
ESR1 P03372 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL1009927 0.95 GRM5 (0.43) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL1009725 0.91 ESR2 (0.54) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL1009094 0.87 GRM5 (0.43) GRM5ALDH1A1KDM4EHPGDMEN1
SCHEMBL1010729 0.86 GRM5 (0.42) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL3820010 0.86 ALDH1A1 (0.41) ALDH1A1ESR1POLBL3MBTL1TDP1
SCHEMBL1010525 0.86 GRM5 (0.42) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL1010133 0.85 GRM5 (0.48) GRM5ALDH1A1ESR2TDP1KDM4E
SCHEMBL1011077 0.85 ALDH1A1 (0.54) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL1013074 0.85 GRM5 (0.43) GRM5ALDH1A1ESR1POLBL3MBTL1
SCHEMBL1010154 0.84 GRM5 (0.42) GRM5ALDH1A1KDM4EHPGDMEN1

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 7 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-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 GRM5 1/4885ALDH1A1 2895/4885ESR1 816/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ALDH1A1 3094/4885ESR1 752/4885

“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.