SCHEMBL928564

SCHEMBL928564

Fc1ncccc1-c1nnc2n1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
P2RX7 Q99572 2/20 0.35
TACR3 P29371 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP3K5 Q99683 1/20 0.34
EPHX2 P34913 1/20 0.33
HTR7 P34969 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
HPGD P15428 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
SCHEMBL930918 0.78 GSK3B (0.40) GSK3BDYRK1AEPHX2HTR7
SCHEMBL106779 0.77 TACR3 (0.52) P2RX7TACR3CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2565514 0.76 TACR3 (0.51) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL8025160 0.76 P2RX7 (0.41) P2RX7TACR3CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL23269997 0.74 GSK3B (0.38) GSK3BDYRK1AP2RX7TACR3MAP3K5
Hydrochloric Acid SCHEMBL30104181 0.74 GSK3B (0.38) GSK3BDYRK1AP2RX7TACR3MAP3K5
SCHEMBL1203436 0.74 GSK3B (0.56) GSK3BDYRK1AP2RX7TACR3HTR7
SCHEMBL928670 0.73 MKNK1 (0.43) P2RX7CYP1A2CYP2D6HPGD
SCHEMBL706557 0.73 HPGD (0.56) GSK3BDYRK1ATACR3HTR7PDCD1
SCHEMBL2555237 0.73 XDH (0.35) GSK3BDYRK1ACYP1A2CYP2D6CYP2C9

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 1845/4885P2RX7 71/4885

“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.