SCHEMBL929250

SCHEMBL929250

CN1NCCc2c(-c3ccncc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.40
PARP11 Q9NR21 3/20 0.40
UCHL1 P09936 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PIK3CD O00329 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CDC7 O00311 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
CYP3A4 P08684 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL929208 0.81 PARP10 (0.47) PARP10PARP11UCHL1AKT1NFATC1
SCHEMBL23639223 0.77 UCHL1 (0.46) UCHL1HTR2CHTR2BPIK3CDPDCD1
SCHEMBL930700 0.77 PIK3CD (0.36) PARP10PARP11PIK3CDCDC7PKN1
SCHEMBL12905355 0.75 UCHL1 (0.44) UCHL1HTR2CHTR2BPIK3CDPDCD1
SCHEMBL929251 0.73 PARP10 (0.42) PARP10PARP11UCHL1HTR2CHTR2B
SCHEMBL929627 0.73 HTR2C (0.44) PARP10PARP11HTR2CHTR2BCYP3A4
SCHEMBL931093 0.72 NOTUM (0.50) HTR2CHTR2BPIK3CDCYP3A4AKT1
SCHEMBL31121854 0.71 PARP10 (0.47) PARP10PARP11PIK3CDCDC7PKN1
SCHEMBL930340 0.71 NOTUM (0.45) HTR2CGAADRD2DRD4ADRA2A
SCHEMBL930304 0.71 NOTUM (0.45) AKT1GAADRD2DRD4

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-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-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 2659/4885UCHL1 4521/4885

“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.