SCHEMBL2201291

SCHEMBL2201291

O=C(c1c(-c2cncnc2)nn(-c2ccc(OC(F)(F)F)cc2)c1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 4/20 0.38
L3MBTL3 Q96JM7 9/20 0.38
L3MBTL1 Q9Y468 8/20 0.38
MBTD1 Q05BQ5 5/20 0.37
TP53BP1 Q12888 2/20 0.37
L3MBTL4 Q8NA19 2/20 0.37
KDM1A O60341 1/20 0.36
ABL1 P00519 1/20 0.36
GCGR P47871 1/20 0.36
EPHX2 P34913 1/20 0.35
MCHR1 Q99705 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2203688 0.92 L3MBTL3 (0.39) MAPK7L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2203621 0.84 MCHR1 (0.43) MAPK7L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2202883 0.83 CYP2C9 (0.42) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2202692 0.83 MGLL (0.40) L3MBTL3L3MBTL1
SCHEMBL2206255 0.82 KMT2A (0.39) MAPK7L3MBTL3L3MBTL1HSD11B1
SCHEMBL2197308 0.79 SLC5A1 (0.41) ABL1GCGR
SCHEMBL2201297 0.77 L3MBTL3 (0.43) MAPK7L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2197806 0.76 CACNA2D1 (0.46) MAPK7L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL2202253 0.76 L3MBTL3 (0.43) MAPK7L3MBTL3L3MBTL1TP53BP1L3MBTL4
SCHEMBL2197513 0.75 CYP2C9 (0.45) L3MBTL3L3MBTL1

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-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US claimed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
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 MAPK7 1141/4885L3MBTL3 4146/4885L3MBTL1 4149/4885

“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.