SCHEMBL4790153

SCHEMBL4790153

O=C(c1cc2ncc(Br)cn2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.53
ESR2 Q92731 3/20 0.53
ESR1 P03372 2/20 0.53
POLB P06746 2/20 0.53
GRM5 P41594 14/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4788266 0.91 ALDH1A1 (0.55) TDP1HPGDKDM4EMEN1KMT2A
SCHEMBL4789673 0.90 GRM5 (0.49) TDP1HPGDKDM4EMEN1KMT2A
SCHEMBL4790654 0.89 GRM5 (0.57) TDP1HPGDALDH1A1ESR2ESR1
SCHEMBL4790173 0.88 ALDH1A1 (0.66) TDP1HPGDKDM4EALDH1A1ESR2
SCHEMBL4757802 0.88 ALDH1A1 (0.60) TDP1HPGDALDH1A1ESR2ESR1
SCHEMBL4755856 0.87 GRM5 (0.56) TDP1HPGDKMT2AALDH1A1ESR2
SCHEMBL4790084 0.86 GRM5 (0.55) TDP1HPGDALDH1A1ESR2ESR1
SCHEMBL5109869 0.85 ALDH1A1 (0.61) TDP1HPGDKMT2AALDH1A1ESR2
SCHEMBL4790471 0.84 ALDH1A1 (0.59) TDP1HPGDKDM4EALDH1A1ESR2
SCHEMBL4790012 0.84 GRM5 (0.60) TDP1HPGDALDH1A1ESR2ESR1

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-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 TDP1 840/4885HPGD 1132/4885KDM4E 1401/4885

“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.