SCHEMBL2201133

SCHEMBL2201133

CCc1nn(-c2cccc(/C=C/c3ccc(Cl)cc3)c2)c(CC)c1C(=O)N1CCC(N(CC)CC)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.39
JAK1 P23458 1/20 0.37
POLR1A O95602 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
CCR3 P51677 2/20 0.32
TP53 P04637 1/20 0.32
MCHR1 Q99705 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2199721 0.89 MALT1 (0.37) MALT1JAK1POLR1AKDM1AMDM4
SCHEMBL2202091 0.85 MALT1 (0.40) MALT1JAK1POLR1AKDM1ACCR3
SCHEMBL2202093 0.85 MALT1 (0.40) MALT1JAK1POLR1AKDM1ACCR3
SCHEMBL2202806 0.84 L3MBTL3 (0.41) PTGDR2
SCHEMBL2202799 0.84 L3MBTL3 (0.41) PTGDR2
SCHEMBL2200736 0.80 CACNA2D1 (0.38) PTGDR2TP53
SCHEMBL2200740 0.80 CACNA2D1 (0.38) PTGDR2TP53
SCHEMBL2201719 0.79 JAK1 (0.38) JAK1POLR1AKDM1APIK3CAMTOR
SCHEMBL2198101 0.79 PTGDR2 (0.47) PTGDR2TP53
SCHEMBL2198106 0.79 PTGDR2 (0.47) PTGDR2TP53

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 9 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
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 553/4885POLR1A 1494/4885

“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.