SCHEMBL930330

SCHEMBL930330

CN1NCCc2cccc(-c3ccnc(F)c3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
RPS6KA3 P51812 1/20 0.36
DYRK1A Q13627 3/20 0.34
NFATC1 O95644 1/20 0.34
IDO1 P14902 1/20 0.33
ADORA2B P29275 1/20 0.33
MAPK14 Q16539 2/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
EGFR P00533 1/20 0.32
CDK1 P06493 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 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
SCHEMBL930700 0.81 PIK3CD (0.36) PARP10PARP11DYRK1ANFATC1MAPK14
SCHEMBL929208 0.80 PARP10 (0.47) PARP10PARP11RPS6KA3DYRK1ANFATC1
SCHEMBL12905365 0.79 PARP10 (0.38) PARP10PARP11RPS6KA3DYRK1ANFATC1
SCHEMBL929498 0.75 PARP10 (0.39) PARP10PARP11RPS6KA3IDO1MAPK14
SCHEMBL929103 0.75 PARP10 (0.39) PARP10PARP11RPS6KA3IDO1MAPK14
SCHEMBL928511 0.72 HTR2C (0.34)
SCHEMBL929675 0.67 HTR2C (0.44) PARP10PARP11
SCHEMBL12905379 0.66 PARP10 (0.40) PARP10PARP11RPS6KA3DYRK1ANFATC1
SCHEMBL929059 0.66 PNMT (0.35) PARP10PARP11
SCHEMBL928662 0.66 NOTUM (0.45)

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 PARP10 2343/4885PARP11 2659/4885RPS6KA3 2433/4885

“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.