SCHEMBL2198771

SCHEMBL2198771

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(CO)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2200782 0.92 IRAK4 (0.44) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2201747 0.91 KMT2A (0.47) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2201429 0.90 KMT2A (0.46) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2203232 0.89 ALDH1A1 (0.46) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2198791 0.88 KMT2A (0.44) KMT2ACYP1A2POLBMEN1IRAK4
SCHEMBL2199954 0.86 KMT2A (0.44) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2204278 0.84 KMT2A (0.46) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL2202138 0.83 CYP2C9 (0.43) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2198980 0.83 IRAK4 (0.45) KMT2APOLBMEN1IRAK4ALDH1A1
SCHEMBL2200588 0.83 KMT2A (0.51) KMT2APOLBMEN1ALDH1A1L3MBTL1

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 4057/4885CYP1A2 445/4885POLB 4350/4885

“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.