SCHEMBL2201418

SCHEMBL2201418

COc1cc(-n2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)c2C)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TACR1 P25103 4/20 0.43
L3MBTL1 Q9Y468 7/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL3 Q96JM7 7/20 0.41
MBTD1 Q05BQ5 2/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
RBP4 P02753 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL2201747 0.86 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1L3MBTL3
SCHEMBL2201429 0.85 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1L3MBTL3
SCHEMBL2198894 0.85 L3MBTL3 (0.44) KMT2AL3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL2231585 0.85 TACR1 (0.40) KMT2ATACR1
SCHEMBL2201663 0.83 TACR1 (0.42) KMT2ATACR1L3MBTL1KDM4EALDH1A1
SCHEMBL2197806 0.81 CACNA2D1 (0.46) KMT2AL3MBTL1ALDH1A1L3MBTL3MBTD1
SCHEMBL2201907 0.81 KMT2A (0.52) KMT2AL3MBTL1L3MBTL3TP53BP1L3MBTL4
SCHEMBL2203254 0.80 L3MBTL3 (0.46) KMT2AL3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL2203232 0.80 ALDH1A1 (0.46) KMT2AL3MBTL1ALDH1A1L3MBTL3
SCHEMBL2200707 0.80 KMT2A (0.52) KMT2AL3MBTL1L3MBTL3MBTD1

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 9 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
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 4057/4885TACR1 334/4885L3MBTL1 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.