SCHEMBL2198775

SCHEMBL2198775

Cc1c(C(=O)N2CCC(N3CCCC3CO)CC2)c(-c2ccncc2)nn1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
SCN9A Q15858 2/20 0.36
SLC5A1 P13866 5/20 0.35
HSD11B1 P28845 1/20 0.35
MGLL Q99685 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CCR5 P51681 1/20 0.34
NOTUM Q6P988 1/20 0.34
EPHX2 P34913 1/20 0.34
SLC6A7 Q99884 1/20 0.34
NPY5R Q15761 1/20 0.34
FLT1 P17948 1/20 0.34
CCKAR P32238 1/20 0.34
SPR P35270 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
SCHEMBL2198768 1.00 KMT2A (0.36) KMT2ABCL9CTNNB1SCN9ASLC5A1
SCHEMBL2197802 0.91 SLC5A1 (0.36) BCL9CTNNB1SCN9ASLC5A1HSD11B1
SCHEMBL2197799 0.91 SLC5A1 (0.36) BCL9CTNNB1SCN9ASLC5A1HSD11B1
SCHEMBL2201211 0.90 TRPV1 (0.41) KMT2A
SCHEMBL2201207 0.90 TRPV1 (0.41) KMT2A
SCHEMBL2201167 0.89 KMT2A (0.47) KMT2ASCN9AHSD11B1MGLLSCN10A
SCHEMBL2203381 0.89 KMT2A (0.47) KMT2ASCN9AHSD11B1MGLLSCN10A
SCHEMBL2201175 0.89 KMT2A (0.47) KMT2ASCN9AHSD11B1MGLLSCN10A
SCHEMBL3695155 0.87 CYP2C9 (0.42) KMT2ASCN9ASLC5A1HSD11B1MGLL
SCHEMBL2202694 0.84 KMT2A (0.44) KMT2ASCN9AHSD11B1SCN10ANOTUM

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 5 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
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN 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
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 KMT2A 4057/4885BCL9 4013/4885CTNNB1 3391/4885

“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.