SCHEMBL2198972

SCHEMBL2198972

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(-c2ccncc2)nn1-c1ccc(Br)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
L3MBTL3 Q96JM7 15/20 0.37
L3MBTL1 Q9Y468 14/20 0.37
MBTD1 Q05BQ5 8/20 0.37
L3MBTL4 Q8NA19 4/20 0.37
SCN9A Q15858 1/20 0.36
TP53BP1 Q12888 2/20 0.35
PLK1 P53350 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3695155 0.87 CYP2C9 (0.42) CYP2C9L3MBTL3L3MBTL1SCN9A
SCHEMBL2202138 0.82 CYP2C9 (0.43) CYP2C9L3MBTL3L3MBTL1
SCHEMBL2201325 0.79 L3MBTL3 (0.40) CYP2C9L3MBTL3L3MBTL1MBTD1L3MBTL4
SCHEMBL2206255 0.78 KMT2A (0.39) CYP2C9L3MBTL3L3MBTL1SCN9A
SCHEMBL2202883 0.77 CYP2C9 (0.42) CYP2C9L3MBTL3L3MBTL1MBTD1L3MBTL4
SCHEMBL2198775 0.75 KMT2A (0.36) SCN9A
SCHEMBL2198768 0.75 KMT2A (0.36) SCN9A
SCHEMBL2197806 0.74 CACNA2D1 (0.46) L3MBTL3L3MBTL1MBTD1L3MBTL4TP53BP1
SCHEMBL2201907 0.74 KMT2A (0.52) L3MBTL3L3MBTL1L3MBTL4SCN9ATP53BP1
SCHEMBL2198588 0.73 KMT2A (0.43) 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 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 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.