SCHEMBL2201325

SCHEMBL2201325

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(-c2cncnc2)nn1-c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 18/20 0.40
L3MBTL1 Q9Y468 17/20 0.40
L3MBTL4 Q8NA19 4/20 0.40
MBTD1 Q05BQ5 8/20 0.38
TP53BP1 Q12888 2/20 0.36
CYP2C9 P11712 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
SCHEMBL2201696 0.87 SPR (0.34)
SCHEMBL2201690 0.87 SPR (0.34)
SCHEMBL2198588 0.86 KMT2A (0.43) L3MBTL3L3MBTL1
SCHEMBL2206255 0.83 KMT2A (0.39) L3MBTL3L3MBTL1CYP2C9
SCHEMBL2202640 0.81 MEN1 (0.46)
SCHEMBL2198972 0.79 CYP2C9 (0.39) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL2203254 0.78 L3MBTL3 (0.46) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL2200984 0.77 PDE4D (0.41) L3MBTL1CYP2C9
SCHEMBL2202138 0.77 CYP2C9 (0.43) L3MBTL3L3MBTL1CYP2C9
SCHEMBL3762115 0.76 SPR (0.30)

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 6 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
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
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 L3MBTL3 4146/4885L3MBTL1 4149/4885L3MBTL4 4547/4885

“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.