SCHEMBL2201040

SCHEMBL2201040

Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL3 Q96JM7 13/20 0.46
L3MBTL1 Q9Y468 12/20 0.46
LRRK2 Q5S007 1/20 0.45
UGCG Q16739 2/20 0.45
MBTD1 Q05BQ5 5/20 0.45
TP53BP1 Q12888 3/20 0.45
L3MBTL4 Q8NA19 2/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL2202742 0.88 KMT2A (0.50) CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1
SCHEMBL2197199 0.85 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL2203254 0.82 L3MBTL3 (0.46) L3MBTL3L3MBTL1UGCGMBTD1TP53BP1
Hydrochloric Acid SCHEMBL2201681 0.82 KMT2A (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3400065 0.80 L3MBTL3 (0.48) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL3404126 0.80 L3MBTL3 (0.48) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL2200316 0.80 KMT2A (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2200314 0.80 KMT2A (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2201747 0.80 KMT2A (0.47) L3MBTL3L3MBTL1KMT2A
SCHEMBL2201497 0.80 KMT2A (0.43) L3MBTL3L3MBTL1LRRK2MBTD1TP53BP1

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 CYP3A4 461/4885CYP2D6 1221/4885CYP2C19 798/4885

“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.