SCHEMBL1010669

SCHEMBL1010669

CC1NCCc2ccc(-c3ccco3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.45
HSD17B10 Q99714 4/20 0.45
DRD2 P14416 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD3 P35462 1/20 0.45
HIF1A Q16665 1/20 0.45
DRD4 P21917 1/20 0.45
TDP2 O95551 2/20 0.43
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SRD5A1 P18405 1/20 0.39
ALOX5 P09917 1/20 0.38
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL1012313 0.89 MAOA (0.45) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1009585 0.77 MAOA (0.45) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1012825 0.77 MAOA (0.45) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1011356 0.74 MAOA (0.47) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL29316500 0.73 TDP2 (0.47) DRD2DRD4TDP2SRD5A1
SCHEMBL1009552 0.72 MAOA (0.46) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1010715 0.72 MAOA (0.43) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1009580 0.72 CYP11B1 (0.51) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL1011743 0.72 MAOA (0.56) MAOAHSD17B10DRD2TSHRKDM4E
SCHEMBL19512604 0.72 MAOA (0.56) MAOAHSD17B10DRD2TSHRKDM4E

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 MAOA 3070/4885HSD17B10 2220/4885DRD2 69/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MAOA 2896/4885HSD17B10 2614/4885DRD2 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.