SCHEMBL1011072

SCHEMBL1011072

CC1NCCc2c(-c3cn[nH]c3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.51
ADRA1D P25100 2/20 0.51
DRD1 P21728 8/20 0.41
UCHL1 P09936 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
PRPS1 P60891 1/20 0.35
ADRA1B P35368 1/20 0.35
P2RX7 Q99572 1/20 0.35
ROCK2 O75116 1/20 0.35
PDK2 Q15119 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL1010383 0.81 ADRA1A (0.38) ADRA1AADRA1D
SCHEMBL1011217 0.80 PARP1 (0.39) ADRA1AADRA1DDRD1AKT1AKT2
SCHEMBL1010200 0.79 PARP10 (0.40) ADRA1AADRA1DDRD1
SCHEMBL1010787 0.78 ADRA2A (0.52) ADRA1AADRA1DADRA1B
SCHEMBL1013375 0.77 ADRA1A (0.41) ADRA1ADRD1PDK2AURKAAURKB
SCHEMBL1010376 0.77 BRD4 (0.46)
SCHEMBL1011202 0.76 GRM5 (0.37) ADRA1A
SCHEMBL1009030 0.76 MAOA (0.33) ADRA1AADRA1DADRA1B
SCHEMBL29652223 0.74 DRD1 (0.52) ADRA1AADRA1DDRD1UCHL1ROCK2
SCHEMBL1009757 0.74 MAOA (0.46) AKT1AKT2ROCK2

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 7 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-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 1206/4885ADRA1D 612/4885DRD1 85/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ADRA1A 745/4885ADRA1D 440/4885DRD1 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.