SCHEMBL928670

SCHEMBL928670

c1cncc(-c2nnc3n2CCNC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
ALOX15 P16050 2/20 0.40
GBA1 P04062 1/20 0.40
CYP2D6 P10635 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL706557 0.83 HPGD (0.56) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL928013 0.83 GSK3B (0.38) P2RX7ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL108722 0.81 GSK3B (0.42) P2RX7ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL14863275 0.78 ALDH1A1 (0.44) ALDH1A1HPGDNISCHKDM4ESMN1; SMN2
SCHEMBL16027876 0.77 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL2444169 0.75 GSK3B (0.47) P2RX7ALDH1A1CYP1A2HPGDNISCH
SCHEMBL930073 0.75 GSK3B (0.43) ALDH1A1CYP3A4CYP2A6HPGDHTT
SCHEMBL14863278 0.75 HPGD (0.55) ALDH1A1GAAHPGDNISCHKDM4E
SCHEMBL106779 0.75 TACR3 (0.52) P2RX7CYP1A2CYP2D6TP53SMN1; SMN2
SCHEMBL3556138 0.75 ALDH1A1 (0.41) P2RX7ALDH1A1CYP3A4CYP1A2CYP2A6

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 MKNK1 1530/4885MKNK2 1165/4885P2RX7 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.