SCHEMBL4790646

SCHEMBL4790646

CC1CC(c2ccccc2[N+](=O)[O-])=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 2/20 0.38
GRM5 P41594 6/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
FTO Q9C0B1 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 5/20 0.32
POLB P06746 4/20 0.32
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
ESR2 Q92731 2/20 0.31
PDE4B Q07343 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR4A1 P22736 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.31
ESR1 P03372 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
SCHEMBL4789912 0.90 TDP1 (0.43) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4790297 0.88 GRM5 (0.41) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4757791 0.87 GRM5 (0.42) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4789577 0.86 GRM5 (0.40) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4789173 0.86 GRM5 (0.40) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4790170 0.84 ALKBH5 (0.40) ALKBH5GRM5ALDH1A1LMNAHPGD
SCHEMBL4756503 0.84 GRM5 (0.44) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4790257 0.84 HPGD (0.40) GRM5ALDH1A1LMNAHPGDGAA
SCHEMBL4789680 0.82 GRM5 (0.49) ALKBH5GRM5ALDH1A1HPGDGAA
SCHEMBL4789467 0.82 GRM5 (0.40) GRM5ALDH1A1LMNAHPGDGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO claimed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US claimed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 ALKBH5 1499/4885GRM5 1/4885ALDH1A1 2588/4885

“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.