SCHEMBL15868005

SCHEMBL15868005

C/C(=C/C#N)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CTSK P43235 1/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL19092135 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL13408078 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL3616096 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL14823741 0.82 HPGD (0.54) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL15918769 0.82 HPGD (0.54) USP2SMN1; SMN2HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL3616091 0.81 USP2 (0.45) USP2SMN1; SMN2HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL3616093 0.81 USP2 (0.45) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL15863855 0.80 USP2 (0.44) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL16370880 0.80 USP2 (0.44) USP2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL12697881 0.80 USP2 (0.44) USP2SMN1; SMN2HPGDALDH1A1MEN1

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-9169260-B2 Amidopyrazole inhibitors of interleukin receptor-associated kinases MERCK SHARP & DOHME CORP. (US) 2015-10-27 US disclosed
US-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME LLC 2014-07-10 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-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES IRAK4, IRAK3, IRAK1 USP2 3104/4885SMN1; SMN2 4195/4885HPGD 3041/4885

“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.