SCHEMBL4789680

SCHEMBL4789680

O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.49
ALKBH5 Q6P6C2 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR2 Q92731 2/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4790268 0.90 GRM5 (0.52) GRM5GAAALDH1A1TDP1MAPT
SCHEMBL8221896 0.90 GRM5 (0.40) GRM5GAAALDH1A1SMN1; SMN2TDP1
SCHEMBL4789677 0.87 GRM5 (0.53) GRM5GAAALDH1A1SMN1; SMN2TDP1
SCHEMBL4788098 0.85 GRM5 (0.52) GRM5GAAALDH1A1SMN1; SMN2TDP1
SCHEMBL4758400 0.85 GRM5 (0.56) GRM5GAAALDH1A1SMN1; SMN2TDP1
SCHEMBL4790586 0.85 GRM5 (0.52) GRM5GAAALDH1A1TDP1MAPT
SCHEMBL4789167 0.85 GRM5 (0.51) GRM5ALKBH5GAAALDH1A1SMN1; SMN2
SCHEMBL8217851 0.84 GRM5 (0.56) GRM5GAAALDH1A1SMN1; SMN2TDP1
SCHEMBL4790054 0.83 GRM5 (0.48) GRM5ALKBH5GAAALDH1A1SMN1; SMN2
SCHEMBL4788612 0.83 GRM5 (0.49) GRM5GAAALDH1A1SMN1; SMN2TDP1

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 5 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
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 GRM5 1/4885ALKBH5 1499/4885GAA 4794/4885

“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.