SCHEMBL4789402

SCHEMBL4789402

CC1CC(c2ccc(C(F)(F)F)cc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.41
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 8/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4790468 0.94 HPGD (0.41) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4790072 0.91 GRM5 (0.44) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4790002 0.91 HPGD (0.43) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4789879 0.90 GRM5 (0.43) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4758582 0.90 GRM5 (0.46) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4789634 0.90 TDP1 (0.47) GRM5HPGDALDH1A1KDM4EMEN1
SCHEMBL4758742 0.89 GRM5 (0.43) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4789179 0.88 GRM5 (0.43) GRM5HPGDALDH1A1LMNATDP1
SCHEMBL4756503 0.88 GRM5 (0.44) GRM5HPGDALDH1A1LMNAKDM4E
SCHEMBL4789910 0.85 GRM5 (0.41) GRM5HPGDALDH1A1LMNAALKBH5

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 GRM5 1/4885HPGD 1132/4885ALDH1A1 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.