SCHEMBL929103

SCHEMBL929103

CN1NCCc2cc(-c3ccnc(F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
RPS6KA3 P51812 1/20 0.36
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.35
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.34
MAPK14 Q16539 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK1 P28482 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
DHFR P00374 1/20 0.33
SYK P43405 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
SCHEMBL929498 0.89 PARP10 (0.39) PARP10PARP11RPS6KA3MAPTIDO1
SCHEMBL929679 0.83 PDE3B (0.41) CYP11B2CYP11B1CYP17A1CYP1A2CYP19A1
SCHEMBL12905377 0.77 CYP11B2 (0.38) PARP10PARP11RPS6KA3MAPTCYP11B2
SCHEMBL929208 0.75 PARP10 (0.47) PARP10PARP11RPS6KA3IDO1MAPK14
SCHEMBL930330 0.75 PARP10 (0.42) PARP10PARP11RPS6KA3IDO1MAPK14
SCHEMBL928886 0.75 NOTUM (0.45) PARP10MAPK1
SCHEMBL928935 0.71 PDE3B (0.38) MAPTMAPK1ASIC3
SCHEMBL930246 0.70 NOTUM (0.44) PARP10PARP11
SCHEMBL12905371 0.69 RPS6KA3 (0.36) PARP10PARP11RPS6KA3MAPTIDO1
SCHEMBL929632 0.68 HTR2C (0.47) PARP10

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-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
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.