SCHEMBL2199721

SCHEMBL2199721

CCN(CC)C1CCN(C(=O)c2c(COC)nn(-c3cccc(/C=C/c4ccc(Cl)cc4)c3)c2COC)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
JAK1 P23458 1/20 0.35
KDM1A O60341 1/20 0.35
POLR1A O95602 1/20 0.34
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
OPRD1 P41143 1/20 0.32
HTT P42858 1/20 0.31
CCR3 P51677 3/20 0.31
APLNR P35414 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDR P35968 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
SCHEMBL2201133 0.89 MALT1 (0.39) MALT1JAK1KDM1APOLR1AMDM4
SCHEMBL2203785 0.84 L3MBTL3 (0.38)
SCHEMBL2203777 0.84 L3MBTL3 (0.38)
SCHEMBL2202091 0.83 MALT1 (0.40) MALT1JAK1KDM1APOLR1ACCR3
SCHEMBL2202093 0.83 MALT1 (0.40) MALT1JAK1KDM1APOLR1ACCR3
SCHEMBL13973766 0.80 ABCB1 (0.36)
SCHEMBL2198805 0.80 PPP1CA (0.36) POLB
SCHEMBL2198812 0.80 PPP1CA (0.36) POLB
SCHEMBL2201272 0.80 DRD2 (0.38) HTTLMNAPOLB
SCHEMBL2201268 0.80 DRD2 (0.38) HTTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MALT1 3122/4885JAK1 553/4885KDM1A 3425/4885

“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.