SCHEMBL1010188

SCHEMBL1010188

CC1(C)Cc2ccccc2CN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.53
TDP1 Q9NUW8 5/20 0.53
ESR2 Q92731 4/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.53
NR4A1 P22736 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRM5 P41594 8/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
APOBEC3A P31941 2/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ESR1 P03372 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL1010760 0.87 GRM5 (0.45) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL1010148 0.86 TDP1 (0.49) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL8224326 0.86 GRM5 (0.61) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL3821419 0.83 TDP1 (0.37) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL929962 0.77 GRM5 (0.74) POLBTDP1ESR2GRM5ALDH1A1
SCHEMBL1011447 0.77 GRM5 (0.53) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL1008923 0.77 GRM5 (0.53) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL1010399 0.77 GRM5 (0.53) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL8222026 0.74 GRM5 (0.47) POLBTDP1ESR2KDM4ERAB9A
SCHEMBL3816933 0.74 MAPT (0.39) POLBKDM4ERAB9AALDH1A1GAA

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 25 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-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
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 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
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 claimed
US-20150165756-A1 STENCILS DTG INT GMBH (CH) 2015-06-18 US 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
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-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 POLB 4548/4885TDP1 899/4885ESR2 470/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 POLB 4006/4885TDP1 1406/4885ESR2 592/4885

“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.