SCHEMBL4473199

SCHEMBL4473199

N#Cc1[nH]nc2c1CC1C(Cc3ccccc3)C21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
CXCR2 P25025 1/20 0.31
RPS6KA3 P51812 1/20 0.30
ACHE P22303 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL13631524 1.00 HPGD (0.35) HPGDKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL13675320 0.82 NOS1 (0.36) NOS1NOS2
SCHEMBL4483926 0.78 HCAR2 (0.38) HSD17B10ALDH1A1KDM4E
SCHEMBL13631526 0.78 HCAR2 (0.38) HSD17B10ALDH1A1KDM4E
SCHEMBL13638082 0.78 HCAR2 (0.31) NOS1NOS2
SCHEMBL4560610 0.78 HCAR2 (0.38) HSD17B10ALDH1A1KDM4E
SCHEMBL4480935 0.78 HCAR2 (0.38) HSD17B10ALDH1A1KDM4E
SCHEMBL13631573 0.77 HCAR2 (0.43)
SCHEMBL4493054 0.77 HCAR2 (0.43)
SCHEMBL4489072 0.76 AURKA (0.36) NOS1NOS2

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 HPGD 233/4885KMT2A 4315/4885HSD17B10 115/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HPGD 233/4885KMT2A 4315/4885HSD17B10 115/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HPGD 233/4885KMT2A 4315/4885HSD17B10 115/4885

“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.