SCHEMBL1013010

SCHEMBL1013010

CC1NCCc2ccc(-c3cnn(C)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
MAOA P21397 4/20 0.43
DRD2 P14416 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD3 P35462 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD4 P21917 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
ACVR1 Q04771 1/20 0.40
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
WNT1 P04628 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
PIK3CD O00329 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
SCHEMBL1011383 0.89 KDM1A (0.44) KDM1AMAOADRD2TSHRKDM4E
SCHEMBL1009552 0.79 MAOA (0.46) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1011356 0.77 MAOA (0.47) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1011322 0.77 MAOA (0.46) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1010316 0.76 MAOA (0.43) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1009580 0.76 CYP11B1 (0.51) KDM1AMAOADRD2TSHRKDM4E
SCHEMBL17785716 0.74 KDM1A (0.48) KDM1ALOXL2ACVR1CREBBPBRD4
SCHEMBL1009908 0.74 MAOA (0.49) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL25402885 0.73 WNT1 (0.58) KDM1AWNT1GSK3BDYRK1ACLK2
SCHEMBL30480850 0.73 WNT1 (0.58) KDM1AWNT1GSK3BDYRK1ACLK2

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 KDM1A 1625/4885MAOA 3070/4885DRD2 69/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 KDM1A 2028/4885MAOA 2896/4885DRD2 133/4885

“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.