SCHEMBL1012910

SCHEMBL1012910

CC1NCCc2c(C(=O)N(C)C)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 1/20 0.36
DRD2 P14416 2/20 0.36
MAOA P21397 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD3 P35462 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 1/20 0.36
CXCR2 P25025 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC6A4 P31645 1/20 0.34
DDB1 Q16531 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
SCHEMBL17674692 0.84 TSHR (0.39) DRD2MAOATSHRKDM4ECYP2C9
SCHEMBL1011060 0.84 DRD2 (0.38) DRD2MAOATSHRKDM4ECYP2C9
SCHEMBL17674649 0.80 DRD2 (0.51) DRD2MAOATSHRKDM4EDRD3
SCHEMBL1010804 0.80 DRD2 (0.51) DRD2MAOATSHRKDM4EDRD3
SCHEMBL1009594 0.74 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL8026944 0.73 MAOA (0.37) MEN1KMT2ASMN1; SMN2KEAP1DRD2
SCHEMBL1010830 0.72 PARP1 (0.42) MEN1KMT2ADRD2MAOATSHR
SCHEMBL1010394 0.71 ADRA2A (0.49) MAOAKDM4EHSD17B10ADRA2ADDB1
SCHEMBL24548614 0.70 MAOA (0.39) DRD2MAOATSHRKDM4ECYP2C9
SCHEMBL7993624 0.70 GID4 (0.61) DRD2MAOATSHRKDM4ECYP2C9

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 MEN1 2974/4885KMT2A 1880/4885SMN1; SMN2 897/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MEN1 3197/4885KMT2A 2986/4885SMN1; SMN2 1113/4885

“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.