SCHEMBL3695155

SCHEMBL3695155

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(-c2ccncc2)nn1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL3 Q96JM7 7/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
SCN9A Q15858 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 1/20 0.38
CCKAR P32238 1/20 0.38
MGLL Q99685 1/20 0.38
NOTUM Q6P988 1/20 0.37
SLC5A1 P13866 2/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A7 Q99884 1/20 0.37

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
SCHEMBL2206255 0.91 KMT2A (0.39) CYP2C9KMT2AL3MBTL3L3MBTL1SCN9A
SCHEMBL2202883 0.90 CYP2C9 (0.42) CYP2C9KMT2AL3MBTL3L3MBTL1SCN9A
SCHEMBL2202138 0.88 CYP2C9 (0.43) CYP2C9KMT2AL3MBTL3L3MBTL1NPSR1
SCHEMBL2201907 0.87 KMT2A (0.52) KMT2AL3MBTL3L3MBTL1SCN9ACYP2D6
SCHEMBL2198972 0.87 CYP2C9 (0.39) CYP2C9L3MBTL3L3MBTL1SCN9A
SCHEMBL2198768 0.87 KMT2A (0.36) KMT2ASCN9AHSD11B1CCKARMGLL
SCHEMBL2198775 0.87 KMT2A (0.36) KMT2ASCN9AHSD11B1CCKARMGLL
SCHEMBL2200707 0.86 KMT2A (0.52) KMT2AL3MBTL3L3MBTL1CYP2D6CYP2C19
SCHEMBL2201185 0.85 MAPK7 (0.42) KMT2AL3MBTL3L3MBTL1SCN9ACYP2D6
SCHEMBL2203688 0.81 L3MBTL3 (0.39) CYP2C9L3MBTL3L3MBTL1SCN9AHSD11B1

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 7 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
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 723/4885KMT2A 4057/4885L3MBTL3 4146/4885

“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.