SCHEMBL928935

SCHEMBL928935

CN1NCCc2ccc(-c3ccncc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
CDC7 O00311 2/20 0.36
PKN2 Q16513 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PKN1 Q16512 1/20 0.36
CDK9 P50750 1/20 0.36
GAA P10253 1/20 0.35
QDPR P09417 1/20 0.35
BRAF P15056 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CREBBP Q92793 1/20 0.34
NOTUM Q6P988 1/20 0.34
MAPK3 P27361 2/20 0.34
MAPK1 P28482 2/20 0.34
DRD2 P14416 1/20 0.34
CLK1 P49759 1/20 0.33
PIK3CA P42336 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL929679 0.88 PDE3B (0.41) PDE3BPDE3ACDC7PKN2ASIC3
SCHEMBL929498 0.83 PARP10 (0.39) MAPK1MAPT
SCHEMBL929216 0.76 CHRNB2 (0.47) GAA
SCHEMBL12905344 0.74 HRH3 (0.40) PDE3BPDE3ACDC7CDK9GAA
SCHEMBL929001 0.74 ALDH1A1 (0.42) NOTUMDRD2
SCHEMBL928907 0.72 HTR2C (0.43) NOTUM
SCHEMBL929817 0.72 PNMT (0.44) ASIC3LMNA
SCHEMBL930645 0.72 HTR2A (0.47) HRH3NOTUMMAPK1DRD2LMNA
SCHEMBL930227 0.72 CHRNB2 (0.47) GAA
SCHEMBL929103 0.71 PARP10 (0.39) ASIC3MAPK1MAPT

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 PDE3B 555/4885PDE3A 494/4885CDC7 3967/4885

“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.