SCHEMBL4483074

SCHEMBL4483074

N#Cc1nn(Cc2ccccc2)c2c1CC1C(COc3ccccc3)C21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 4/20 0.34
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 1/20 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
SCHEMBL13631659 1.00 TSHR (0.39) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL4491330 0.87 TSHR (0.40) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL13631658 0.87 TSHR (0.40) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL13631660 0.77 HCAR2 (0.41)
SCHEMBL4479390 0.77 HCAR2 (0.41)
SCHEMBL4488829 0.76 CNR2 (0.46) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL13631512 0.76 CNR2 (0.46) TSHRTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL14570520 0.70 TSHR (0.39) TSHRTDP1ALDH1A1MAPTKDM4E
SCHEMBL5522025 0.69 TSHR (0.39) TSHRTDP1ALDH1A1MAPTKDM4E
SCHEMBL5531383 0.69 TSHR (0.39) TSHRTDP1ALDH1A1MAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 TSHR 3158/4885TDP1 3442/4885ALDH1A1 794/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 TSHR 3158/4885TDP1 3442/4885ALDH1A1 794/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 TSHR 3158/4885TDP1 3442/4885ALDH1A1 794/4885

“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.