SCHEMBL1010220

SCHEMBL1010220

CC1NCCc2c1ccc1ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
HIF1A Q16665 3/20 0.36
BLM P54132 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL1011044 0.73 HTR2A (0.42) ALDH1A1HTR2AHTR2CCHRNB4CHRNA3
SCHEMBL8029005 0.72 MAPT (0.42) MAPTKDM4ECNR2CYP3A4LMNA
SCHEMBL1011672 0.71 ADRA1A (0.52) KDM4EALDH1A1SMN1; SMN2LMNAHIF1A
SCHEMBL1010477 0.71 CHRNB4 (0.43) ALDH1A1TSHRCHRNB4CHRNA3MAOA
SCHEMBL5865477 0.71 MAPT (0.52) MAPTKDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL790256 0.71 MAOA (0.39) KDM4EHIF1ATSHRHTR2AHTR2C
SCHEMBL31569035 0.71 MAOA (0.39) KDM4EHIF1ATSHRHTR2AHTR2C
SCHEMBL31568999 0.71 MAOA (0.39) KDM4EHIF1ATSHRHTR2AHTR2C
SCHEMBL31569493 0.71 MAOA (0.39) KDM4EHIF1ATSHRHTR2AHTR2C
Hydrochloric Acid SCHEMBL31569352 0.70 MAOA (0.38) KDM4EHIF1ATSHRHTR2AHTR2C

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 9 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-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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
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 MAPT 2143/4885KDM4E 1101/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MAPT 2936/4885KDM4E 1357/4885ALDH1A1 3094/4885

“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.