SCHEMBL6317039

SCHEMBL6317039

CCCCCNC(=O)CC#N

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.74
CASP2 P42575 1/20 0.57
NAAA Q02083 1/20 0.53
EPHX1 P07099 6/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL1961539 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1962966 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1960367 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1958608 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1962964 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1962363 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL3394896 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL6320829 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1961150 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1
SCHEMBL1961327 0.98 MCL1 (0.71) MCL1CASP2NAAAEPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
EP-0102062-B1 1,3-DITHIANES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-11-23 EP disclosed
US-4640929-A Insecticidally, acaricidally, and nematocidally 2-amino-1,3-dithiane derivatives and pesticidal compositions therefor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-03 US disclosed
EP-0102062-A2 1,3-Dithianes, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-07 EP 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MCL1 584/4885CASP2 1206/4885NAAA 1340/4885

“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.