SCHEMBL1013375

SCHEMBL1013375

CC1NCCc2c(-c3cnn(C)c3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA1B Q00975 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
BRD4 O60885 1/20 0.38
PDK2 Q15119 1/20 0.38
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
EPHX2 P34913 1/20 0.35
CREBBP Q92793 1/20 0.34
IRAK1 P51617 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
SCHEMBL21515017 0.82 BRD4 (0.49) DRD1CYP3A4BRD4IRAK4CREBBP
SCHEMBL1011227 0.80 AURKA (0.39) ADRA1AADRA2AAURKAAURKBINCENP
SCHEMBL1010383 0.80 ADRA1A (0.38) ADRA1AADRA2A
SCHEMBL1010200 0.78 PARP10 (0.40) ADRA1AADRA2ADRD1
SCHEMBL1011072 0.77 ADRA1A (0.51) ADRA1ADRD1AURKAAURKBINCENP
SCHEMBL1010787 0.77 ADRA2A (0.52) ADRA1AADRA2A
SCHEMBL8024959 0.77 DRD1 (0.46) ADRA1AADRA2ADRD1CYP3A4HTR2B
SCHEMBL1011202 0.75 GRM5 (0.37) ADRA1AADRA2ACYP3A4
SCHEMBL29652233 0.75 DRD1 (0.52) ADRA1AADRA2ADRD1CYP3A4HTR2B
SCHEMBL1011383 0.75 KDM1A (0.44) BRD4IRAK4CREBBP

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 ADRA1A 1206/4885ADRA2A 1283/4885DRD1 85/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ADRA1A 745/4885ADRA2A 965/4885DRD1 149/4885

“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.