SCHEMBL4789890

SCHEMBL4789890

O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.55
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 5/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL5122361 0.92 GRM5 (0.57) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL8217851 0.91 GRM5 (0.56) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL4788277 0.90 GRM5 (0.52) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL4757778 0.90 GRM5 (0.60) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL4788628 0.90 GRM5 (0.55) GRM5ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL4758354 0.89 GRM5 (0.52) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL4790158 0.89 GRM5 (0.54) GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4788637 0.89 GRM5 (0.54) GRM5ALDH1A1SMN1; SMN2NAMPTGAA
SCHEMBL4789626 0.88 GRM5 (0.52) GRM5
SCHEMBL5110265 0.88 GRM5 (0.53) GRM5ALDH1A1SMN1; SMN2GAAMAPT

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 GRM5 1/4885ALDH1A1 2588/4885SMN1; SMN2 1776/4885

“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.