SCHEMBL2201158

SCHEMBL2201158

CCN(CC)C1CCN(C(=O)c2c(C)nn(-c3cccc(CCC(C)C)c3)c2C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
POLR1A O95602 1/20 0.40
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KDM1A O60341 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35
KDM5A P29375 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
SCHEMBL12510462 0.87 KMT2A (0.43) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2197614 0.85 KMT2A (0.44) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2198108 0.84 KMT2A (0.41) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2201573 0.83 KMT2A (0.43) KMT2APOLR1AJAK1GPR119MEN1
SCHEMBL2200002 0.81 KMT2A (0.47) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2202091 0.79 MALT1 (0.40) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2202093 0.79 MALT1 (0.40) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2200041 0.79 POLR1A (0.42) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2198792 0.78 KMT2A (0.39) KMT2APOLR1AJAK1GPR119KDM1A
SCHEMBL2198795 0.78 KMT2A (0.39) KMT2APOLR1AJAK1GPR119KDM1A

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 4057/4885POLR1A 1494/4885JAK1 553/4885

“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.