SCHEMBL4789396

SCHEMBL4789396

CC1CC(c2ccco2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
POLB P06746 5/20 0.42
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ESR2 Q92731 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
ESR1 P03372 1/20 0.42
GRM5 P41594 5/20 0.42
HPGD P15428 7/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 5/20 0.34
RECQL P46063 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 4/20 0.34
PKM P14618 3/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL4756503 0.85 GRM5 (0.44) ALDH1A1POLBTDP1L3MBTL1ESR2
SCHEMBL4790072 0.84 GRM5 (0.44) ALDH1A1TDP1ESR2GRM5HPGD
SCHEMBL4790297 0.84 GRM5 (0.41) ALDH1A1POLBTDP1L3MBTL1ESR2
SCHEMBL4790271 0.84 NPC1 (0.41) ALDH1A1GRM5HPGDLMNANPC1
SCHEMBL4758582 0.83 GRM5 (0.46) ALDH1A1TDP1ESR2GRM5HPGD
SCHEMBL4757791 0.83 GRM5 (0.42) ALDH1A1POLBTDP1L3MBTL1ESR2
SCHEMBL4755882 0.83 GRM5 (0.42) ALDH1A1POLBTDP1L3MBTL1ESR2
SCHEMBL4789467 0.83 GRM5 (0.40) ALDH1A1POLBTDP1L3MBTL1ESR2
SCHEMBL4758742 0.83 GRM5 (0.43) ALDH1A1TDP1ESR2GRM5HPGD
SCHEMBL4790623 0.82 GRM5 (0.43) ALDH1A1POLBTDP1L3MBTL1ESR2

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 ALDH1A1 2588/4885POLB 3247/4885TDP1 840/4885

“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.