SCHEMBL1010456

SCHEMBL1010456

CC1c2ccccc2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.59
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ESR2 Q92731 4/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 4/20 0.51
ESR1 P03372 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR4A1 P22736 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL29409471 1.00 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010975 1.00 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010886 1.00 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1012807 0.90 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1009257 0.90 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL12400834 0.89 GRM5 (0.60) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010650 0.89 GRM5 (0.48) GRM5ALDH1A1HPGD
SCHEMBL15020037 0.89 GRM5 (0.48) GRM5ALDH1A1HPGD
SCHEMBL1011624 0.89 GRM5 (0.48) GRM5ALDH1A1HPGD
SCHEMBL1010349 0.88 GRM5 (0.53) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283274-A1 CRYSTALLINE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES MERZ PHARMA GMBH & CO. KGAA (DE) 2012-11-08 US claimed
EP-2504340-A1 CRYSTALLINE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES Merz Pharma GmbH & Co. KGaA (DE) 2012-10-03 EP 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
WO-2011064237-A1 CRYSTALLINE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES MERZ PHARMA GMBH & CO. KGAA (DE) 2011-06-03 WO 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-20230028659-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-01-26 US disclosed
US-20150165756-A1 STENCILS DTG INT GMBH (CH) 2015-06-18 US disclosed
WO-2013087808-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLOPYRIMIDME AND CYCLODEXTRIN MERZ PHARMA GMBH & CO. KGAA (DE) 2013-06-20 WO 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
US-20120283274-A1 CRYSTALLINE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES MERZ PHARMA GMBH & CO. KGAA (DE) 2012-11-08 US disclosed
WO-2012139876-A1 ENTERIC FORMULATIONS OF METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-18 WO 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 (4 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-20230028659-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION FABP3, TNNC1, TNNI3 GRM5 4/4885ALDH1A1 4302/4885TDP1 2057/4885
US-20120283274-A1 CRYSTALLINE FORMS OF SUBSTITUTED PYRAZOLOPYRIMIDINES GRHPR, XDH, GCDH GRM5 685/4885ALDH1A1 1387/4885TDP1 1359/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 GRM5 1/4885ALDH1A1 2895/4885TDP1 899/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ALDH1A1 3094/4885TDP1 1406/4885

“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.