SCHEMBL4480068

SCHEMBL4480068

c1ccc(Cn2nc(-c3nn[nH]n3)c3c2C2CC2C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.48
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
AGTR1 P30556 3/20 0.36
AGTR2 P50052 2/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL13631513 1.00 HCAR2 (0.48) HCAR2CNR1CNR2AGTR1AGTR2
SCHEMBL13631660 0.79 HCAR2 (0.41) HCAR2AGTR1AGTR2
SCHEMBL5079515 0.74 HTR7 (0.47) HCAR2AGTR1AGTR2MEN1KMT2A
SCHEMBL4488829 0.72 CNR2 (0.46) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL13631512 0.72 CNR2 (0.46) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL5732742 0.71 AGTR1 (0.39) HCAR2AGTR1AGTR2
SCHEMBL15554639 0.61 PBRM1 (0.48) AGTR1AGTR2MEN1ALDH1A1KMT2A
SCHEMBL15554453 0.61 MEN1 (0.46) AGTR1AGTR2MEN1ALDH1A1KMT2A
SCHEMBL5535160 0.61 HTR7 (0.38) MEN1KMT2A
SCHEMBL14570518 0.58 HTR7 (0.38) MEN1ALDH1A1KMT2ASMN1; SMN2

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 300/4885CNR1 1425/4885CNR2 1103/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885CNR1 1425/4885CNR2 1103/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885CNR1 1425/4885CNR2 1103/4885

“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.