SCHEMBL2909635

SCHEMBL2909635

CNC(=O)CC1COCCN1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.37
MALT1 Q9UDY8 1/20 0.32
ARG1 P05089 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL2919033 0.83 ARG1 (0.33) MAP4K1MALT1ARG1
SCHEMBL26349644 0.81 MAP4K1 (0.34) MAP4K1MALT1ARG1IRAK4
SCHEMBL19016585 0.81 MAP4K1 (0.34) MAP4K1MALT1ARG1IRAK4
SCHEMBL2440505 0.81 MAP4K1 (0.34) MAP4K1MALT1ARG1IRAK4
Hydrochloric Acid SCHEMBL17047143 0.79 MAP4K1 (0.33) MAP4K1MALT1ARG1IRAK4
Hydrochloric Acid SCHEMBL15415036 0.79 MAP4K1 (0.33) MAP4K1MALT1ARG1IRAK4
SCHEMBL2380660 0.79 ARG1 (0.33) MAP4K1MALT1ARG1IRAK4
SCHEMBL2551365 0.78 ITGB3 (0.39) MAP4K1MALT1ARG1IRAK4
SCHEMBL29957155 0.78 ITGB3 (0.39) MAP4K1MALT1ARG1IRAK4
SCHEMBL26267274 0.78 ITGB3 (0.39) MAP4K1MALT1ARG1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R MAP4K1 1815/4885MALT1 2788/4885ARG1 253/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MAP4K1 1221/4885MALT1 3827/4885ARG1 178/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MAP4K1 1696/4885MALT1 4362/4885ARG1 759/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MAP4K1 2251/4885MALT1 2474/4885ARG1 346/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MAP4K1 2477/4885MALT1 4216/4885ARG1 1417/4885

“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.