SCHEMBL4479390

SCHEMBL4479390

c1ccc(Cn2nc(-c3nn[nH]n3)c3c2C2C(COc4ccccc4)C2C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.41
GP6 Q9HCN6 2/20 0.36
DNMT3A Q9Y6K1 1/20 0.35
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
FAAH O00519 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL13631660 1.00 HCAR2 (0.41) HCAR2GP6DNMT3AAGTR1AGTR2
SCHEMBL13631513 0.79 HCAR2 (0.48) HCAR2AGTR1AGTR2
SCHEMBL4480068 0.79 HCAR2 (0.48) HCAR2AGTR1AGTR2
SCHEMBL13631659 0.77 TSHR (0.39)
SCHEMBL4483074 0.77 TSHR (0.39)
SCHEMBL4477001 0.77 HCAR2 (0.70) HCAR2
SCHEMBL13631661 0.77 HCAR2 (0.70) HCAR2
SCHEMBL4489094 0.72 HCAR2 (0.44) HCAR2GP6
SCHEMBL4524411 0.72 HCAR2 (0.44) HCAR2GP6
SCHEMBL5079515 0.69 HTR7 (0.47) HCAR2AGTR1AGTR2

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 HCAR2 300/4885GP6 3201/4885DNMT3A 4713/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885GP6 3201/4885DNMT3A 4713/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885GP6 3201/4885DNMT3A 4713/4885

“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.