SCHEMBL2198937

SCHEMBL2198937

Cc1nn(-c2cccc(/C=C/c3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MALT1 Q9UDY8 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.38
CCR3 P51677 5/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 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
SCHEMBL2198942 1.00 KMT2A (0.44) KMT2AMALT1L3MBTL3CCR3MAPT
SCHEMBL2199901 0.95 MALT1 (0.49) KMT2AMALT1CCR3MAPTPTGS2
SCHEMBL2199905 0.95 MALT1 (0.49) KMT2AMALT1CCR3MAPTPTGS2
SCHEMBL2202093 0.87 MALT1 (0.40) KMT2AMALT1CCR3
SCHEMBL2202091 0.87 MALT1 (0.40) KMT2AMALT1CCR3
SCHEMBL12510237 0.87 KMT2A (0.41) KMT2AMALT1CCR3
SCHEMBL2200314 0.87 KMT2A (0.44) KMT2AL3MBTL3MAPTMEN1
SCHEMBL2200316 0.87 KMT2A (0.44) KMT2AL3MBTL3MAPTMEN1
SCHEMBL2200676 0.86 MALT1 (0.40) KMT2AMALT1CCR3MAPTMEN1
SCHEMBL2200679 0.86 MALT1 (0.40) KMT2AMALT1CCR3MAPTMEN1

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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 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
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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 4057/4885MALT1 3122/4885L3MBTL3 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.