SCHEMBL1011716

SCHEMBL1011716

Cc1nc2c3c(ccc2o1)C(C)NCC3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAOA P21397 4/20 0.33
DRD2 P14416 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD3 P35462 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL8015297 0.73 DRD3 (0.36) CHRNB2CHRNA4MAOADRD2KDM4E
SCHEMBL4872352 0.72 HTR2C (0.46) CHRNB2CHRNA4DRD3
SCHEMBL1011527 0.71 NPC1 (0.36) CHRNB2CHRNA4MAOADRD2TSHR
SCHEMBL1009954 0.69 HTR2B (0.50) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1010830 0.68 PARP1 (0.42) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL12930245 0.68 ELANE (0.45) CHRNB2CHRNA4KDM4EHSD17B10ELANE
SCHEMBL24687752 0.66 STAT3 (0.40) DRD3ELANE
SCHEMBL1487594 0.65 BRD4 (0.41) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL1010578 0.64 HTR2C (0.61) MAOADRD2TSHRKDM4ECYP2C9
SCHEMBL23112119 0.64 MAOA (0.39) CHRNB2CHRNA4MAOADRD2TSHR

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 CHRNB2 218/4885CHRNA4 52/4885MAOA 3070/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 CHRNB2 243/4885CHRNA4 56/4885MAOA 2896/4885

“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.