SCHEMBL4532253

SCHEMBL4532253

COCc1c(C(=O)O)c(C)nn1-c1cccc(C(F)(F)F)c1.Cc1nn(-c2cccc(C(F)(F)F)c2)c(CO)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ELANE P08246 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL2198980 0.94 IRAK4 (0.45) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2198791 0.91 KMT2A (0.44) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2198785 0.82 POLB (0.52) POLBKMT2AMEN1CYP1A2
SCHEMBL2198771 0.82 KMT2A (0.44) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2201747 0.81 KMT2A (0.47) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2200782 0.81 IRAK4 (0.44) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2201429 0.81 KMT2A (0.46) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2201156 0.79 KMT2A (0.45) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2201495 0.78 KMT2A (0.44) IRAK4POLBKMT2AMEN1L3MBTL3
SCHEMBL2203232 0.76 ALDH1A1 (0.46) IRAK4POLBKMT2AMEN1L3MBTL3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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 IRAK4 146/4885POLB 4350/4885KMT2A 4057/4885

“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.