SCHEMBL930129

SCHEMBL930129

c1cc(-c2nnc3n2CCNC3)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HPGD P15428 6/20 0.36
DRD2 P14416 2/20 0.36
HTR6 P50406 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP2A6 P11509 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL108722 0.80 GSK3B (0.42) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL706557 0.78 HPGD (0.56) GSK3BDYRK1AHPGDDRD2HTR6
SCHEMBL14863278 0.76 HPGD (0.55) GSK3BDYRK1AHPGDHTR6PDCD1
SCHEMBL1203436 0.75 GSK3B (0.56) GSK3BDYRK1AHPGDHTR6ALDH1A1
SCHEMBL2356064 0.75 HPGD (0.56) GSK3BDYRK1AHPGDHTR6ALDH1A1
SCHEMBL929665 0.75 KDM4E (0.40) GSK3BDYRK1AHPGDALDH1A1MEN1
SCHEMBL928013 0.74 GSK3B (0.38) GSK3BDYRK1AHPGDPDCD1CD274
SCHEMBL12905252 0.74 HTR6 (0.46) HPGDDRD2HTR6ALDH1A1HTT
SCHEMBL930989 0.73 CYP1A2 (0.38) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL14863275 0.73 ALDH1A1 (0.44) GSK3BDYRK1AHPGDHTR6PDCD1

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 GSK3B 2860/4885DYRK1A 1845/4885HPGD 720/4885

“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.