SCHEMBL928672

SCHEMBL928672

c1cc(-c2nnc3n2CCNC3)ncn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.46
ALDH1A1 P00352 1/20 0.37
GSK3B P49841 4/20 0.35
DYRK1A Q13627 1/20 0.35
TACR3 P29371 2/20 0.34
MAP3K5 Q99683 1/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
PLD1 Q13393 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.81 GSK3B (0.42) P2RX7ALDH1A1GSK3BDYRK1AADRB2
SCHEMBL106779 0.81 TACR3 (0.52) P2RX7TACR3PLD1CYP1A2CYP2D6
SCHEMBL16027876 0.79 P2RX7 (0.61) P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL2565514 0.79 TACR3 (0.51) P2RX7TACR3PLD1CYP1A2CYP2D6
SCHEMBL928013 0.76 GSK3B (0.38) P2RX7ALDH1A1GSK3BDYRK1AROCK1
SCHEMBL8027380 0.75 P2RX7 (0.54) P2RX7GSK3BTACR3CYP1A2CYP2D6
SCHEMBL929336 0.75 HTR2A (0.36) P2RX7GSK3BADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL2560610 0.74 P2RX7 (0.40) P2RX7TACR3
Hydrochloric Acid SCHEMBL2554373 0.74 TACR3 (0.52) TACR3MEN1KMT2A
SCHEMBL19005633 0.73 P2RX7 (0.43) P2RX7GSK3BDYRK1ATACR3MAP3K5

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 P2RX7 71/4885ALDH1A1 2888/4885GSK3B 2860/4885

“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.