SCHEMBL2201573

SCHEMBL2201573

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
ELANE P08246 3/20 0.41
POLR1A O95602 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 1/20 0.40

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
SCHEMBL2200002 0.89 KMT2A (0.47) KMT2AGPR119POLR1ANPSR1JAK1
SCHEMBL2197614 0.87 KMT2A (0.44) KMT2AGPR119POLR1AJAK1
SCHEMBL2200093 0.86 KMT2A (0.48) KMT2ALMNAELANETSHRALDH1A1
SCHEMBL12510462 0.85 KMT2A (0.43) KMT2AGPR119POLR1AJAK1
SCHEMBL2202927 0.84 MCHR1 (0.47) KMT2ALMNAELANETSHRALDH1A1
SCHEMBL2202933 0.84 MCHR1 (0.47) KMT2ALMNAELANETSHRALDH1A1
SCHEMBL2201158 0.83 KMT2A (0.41) KMT2AGPR119POLR1AJAK1MEN1
SCHEMBL2198108 0.82 KMT2A (0.41) KMT2AGPR119POLR1AJAK1
SCHEMBL2202091 0.81 MALT1 (0.40) KMT2AGPR119POLR1AALDH1A1JAK1
SCHEMBL2202093 0.81 MALT1 (0.40) KMT2AGPR119POLR1AALDH1A1JAK1

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 7 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
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 4057/4885LMNA 4701/4885GPR119 255/4885

“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.