SCHEMBL2203254

SCHEMBL2203254

Cc1ccc(-n2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)c2C)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 15/20 0.46
▸ L3MBTL1 Q9Y468 15/20 0.46
▸ MBTD1 Q05BQ5 6/20 0.42
▸ TP53BP1 Q12888 3/20 0.42
▸ L3MBTL4 Q8NA19 2/20 0.42
▸ UGCG Q16739 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SPR P35270 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 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 0.85 KMT2A (0.47) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2227703 0.84 UGCG (0.39) L3MBTL3L3MBTL1UGCG
SCHEMBL2201429 0.84 KMT2A (0.46) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2201040 0.82 CYP3A4 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2197806 0.82 CACNA2D1 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2198894 0.82 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2201907 0.81 KMT2A (0.52) L3MBTL3L3MBTL1TP53BP1L3MBTL4KMT2A
SCHEMBL2200707 0.80 KMT2A (0.52) L3MBTL3L3MBTL1MBTD1KMT2AMEN1
SCHEMBL2201418 0.80 KMT2A (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2202742 0.80 KMT2A (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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 L3MBTL3 4146/4885L3MBTL1 4149/4885MBTD1 4065/4885

“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.

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