SCHEMBL2202883

SCHEMBL2202883

O=C(c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
L3MBTL3 Q96JM7 8/20 0.39
L3MBTL1 Q9Y468 7/20 0.39
HSD11B1 P28845 1/20 0.38
MGLL Q99685 1/20 0.38
NOTUM Q6P988 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A7 Q99884 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MBTD1 Q05BQ5 2/20 0.36
TP53BP1 Q12888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 0.91 L3MBTL3 (0.39) CYP2C9L3MBTL3L3MBTL1HSD11B1MGLL
SCHEMBL3695155 0.90 CYP2C9 (0.42) CYP2C9L3MBTL3L3MBTL1HSD11B1MGLL
SCHEMBL12429747 0.89 CYP2C9 (0.42) CYP2C9L3MBTL3L3MBTL1MGLLALDH1A1
SCHEMBL2197799 0.87 SLC5A1 (0.36) HSD11B1MGLLNOTUMSCN9ASCN10A
SCHEMBL2197802 0.87 SLC5A1 (0.36) HSD11B1MGLLNOTUMSCN9ASCN10A
SCHEMBL2201297 0.86 L3MBTL3 (0.43) L3MBTL3L3MBTL1HSD11B1MGLLNOTUM
SCHEMBL2202253 0.85 L3MBTL3 (0.43) L3MBTL3L3MBTL1HSD11B1MGLLNOTUM
SCHEMBL2202605 0.84 KMT2A (0.42) L3MBTL3L3MBTL1HSD11B1MGLLNOTUM
SCHEMBL2202900 0.83 NOTUM (0.43) NOTUM
SCHEMBL2201291 0.83 MAPK7 (0.38) L3MBTL3L3MBTL1HSD11B1EPHX2L3MBTL4

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 11 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

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 CYP2C9 723/4885L3MBTL3 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.