SCHEMBL2409005

SCHEMBL2409005

CCCc1[nH]ncc1C(=O)N(C)c1cnc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 2/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL2408208 0.85 HSP90AA1 (0.34) HSP90AA1HSP90AB1MEN1ALDH1A1KMT2A
SCHEMBL5494056 0.70 ALDH1A1 (0.42) HSP90AA1MEN1ALDH1A1KMT2AHCAR2
SCHEMBL2408801 0.68 ALDH1A1 (0.35) HRH3MEN1ALDH1A1KMT2A
SCHEMBL3356506 0.67 KMT2A (0.62) HSP90AA1MEN1ALDH1A1KMT2A
SCHEMBL2407279 0.63 LMNA (0.35) ALDH1A1
SCHEMBL14822490 0.62 HCAR2 (0.43) MEN1ALDH1A1KMT2AHCAR2
SCHEMBL13331949 0.61 KCNH2 (0.35) HSP90AA1HSP90AB1HRH3HCAR2
SCHEMBL5378655 0.59
SCHEMBL15233144 0.59
SCHEMBL16950288 0.58 AOC1 (0.41) HRH3QPCTQPCTLALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022061-B2 5-(Methoxymethyl)-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide; for the treatment or prevention of type 2 diabetes and type 2 diabetes-related conditions AMGEN INC. (US) 2011-09-20 US disclosed
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use AMGEN INC. 2008-06-26 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 (1 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-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use GLP1R, GPR119, NAT1 HSP90AA1 3593/4885HSP90AB1 3312/4885HRH3 1957/4885

“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.