SCHEMBL930700

SCHEMBL930700

CN1NCCc2cccc(-c3ccncc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PKN1 Q16512 2/20 0.35
PKN2 Q16513 2/20 0.35
CDC7 O00311 1/20 0.35
PRCP P42785 1/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 2/20 0.35
NPY5R Q15761 1/20 0.35
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
NPC1 O15118 1/20 0.33
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 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
SCHEMBL930330 0.81 PARP10 (0.42) NFATC1DYRK1APARP10PARP11CDK1
SCHEMBL929250 0.77 PARP10 (0.40) PIK3CDPKN1PKN2CDC7NFATC1
SCHEMBL12905343 0.75 DRD2 (0.36) PIK3CDGAACSNK1DMAPK14
SCHEMBL929675 0.73 HTR2C (0.44) PARP10PARP11GAAPARP1
SCHEMBL928662 0.71 NOTUM (0.45) GAAADRA2AADRA2BADRA2C
SCHEMBL928511 0.71 HTR2C (0.34)
SCHEMBL929059 0.71 PNMT (0.35) PARP10PARP11
SCHEMBL929747 0.69 HTR2C (0.46)
SCHEMBL929679 0.69 PDE3B (0.41) PKN1PKN2CDC7GAA
SCHEMBL928935 0.69 PDE3B (0.38) PKN1PKN2CDC7GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 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
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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 (1 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 PIK3CD 1146/4885PKN1 1714/4885PKN2 1746/4885

“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.