SCHEMBL4496987

SCHEMBL4496987

c1ccc(C2[C@@H]3Cc4c(n[nH]c4-c4nn[nH]n4)[C@@H]23)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.46
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GP6 Q9HCN6 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL4486119 1.00 HCAR2 (0.46) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL13631651 1.00 HCAR2 (0.46) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL13638161 1.00 HCAR2 (0.46) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL4489387 0.81 HCAR2 (0.40) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL13631466 0.81 HCAR2 (0.40) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL13631525 0.81 HCAR2 (0.40) HCAR2IDO1MEN1ALDH1A1KMT2A
SCHEMBL4524411 0.79 HCAR2 (0.44) HCAR2ALDH1A1KMT2AGP6HPGDS
SCHEMBL4489094 0.79 HCAR2 (0.44) HCAR2ALDH1A1KMT2AGP6HPGDS
SCHEMBL4481142 0.77 HCAR2 (0.58) HCAR2
SCHEMBL13631570 0.77 HCAR2 (0.58) HCAR2

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 4 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-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 300/4885IDO1 1667/4885MEN1 4780/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885IDO1 1667/4885MEN1 4780/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885IDO1 1667/4885MEN1 4780/4885

“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.