SCHEMBL928013

SCHEMBL928013

c1ncc(-c2nnc3n2CCNC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HPGD P15428 4/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
HTT P42858 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL928670 0.83 MKNK1 (0.43) HPGDP2RX7ALDH1A1HTTMEN1
SCHEMBL108722 0.81 GSK3B (0.42) GSK3BDYRK1AHPGDP2RX7ALDH1A1
SCHEMBL706557 0.79 HPGD (0.56) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL14863278 0.78 HPGD (0.55) GSK3BDYRK1AHPGDALDH1A1HTT
SCHEMBL1203436 0.77 GSK3B (0.56) GSK3BDYRK1AHPGDP2RX7ALDH1A1
SCHEMBL2356064 0.77 HPGD (0.56) GSK3BDYRK1AHPGDP2RX7ALDH1A1
SCHEMBL928672 0.76 P2RX7 (0.46) GSK3BDYRK1AP2RX7ALDH1A1ROCK1
SCHEMBL16027876 0.76 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL930073 0.75 GSK3B (0.43) GSK3BDYRK1AHPGDALDH1A1PIM1
SCHEMBL930989 0.74 CYP1A2 (0.38) GSK3BDYRK1AHPGDALDH1A1HTT

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.