SCHEMBL2198980

SCHEMBL2198980

COCc1c(C(=O)N2CCC(N3CCCC3)CC2)c(C)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 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
SCHEMBL4532253 0.94 IRAK4 (0.41) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2198791 0.91 KMT2A (0.44) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2201747 0.87 KMT2A (0.47) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2200782 0.86 IRAK4 (0.44) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2201429 0.86 KMT2A (0.46) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2201156 0.84 KMT2A (0.45) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2201495 0.83 KMT2A (0.44) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2198771 0.83 KMT2A (0.44) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2203232 0.81 ALDH1A1 (0.46) IRAK4POLBKMT2AMEN1ALDH1A1
SCHEMBL2204278 0.80 KMT2A (0.46) KMT2AMEN1ALDH1A1L3MBTL1TSHR

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 4 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
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
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 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.