SCHEMBL4790432

SCHEMBL4790432

CC1CC(c2cccc([N+](=O)[O-])c2)=CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.42
POLB P06746 5/20 0.42
ALDH1A1 P00352 4/20 0.42
ESR1 P03372 3/20 0.42
TDP1 Q9NUW8 6/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 9/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A1 P22736 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4788110 0.91 ALDH1A1 (0.44) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4790170 0.90 ALKBH5 (0.40) ALDH1A1MAPTHPGDGRM5SMN1; SMN2
SCHEMBL4789880 0.89 TDP1 (0.47) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4756499 0.88 TDP1 (0.46) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4756488 0.87 TDP1 (0.48) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4789671 0.86 ESR2 (0.55) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4790035 0.86 TDP1 (0.45) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4790167 0.84 TDP1 (0.53) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL4789912 0.84 TDP1 (0.43) ESR2POLBALDH1A1ESR1TDP1
SCHEMBL5112030 0.84 ALDH1A1 (0.49) ESR2POLBALDH1A1ESR1TDP1

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 ESR2 509/4885POLB 3247/4885ALDH1A1 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.