SCHEMBL2202138

SCHEMBL2202138

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(-c2ccncc2)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 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
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
DDR1 Q08345 1/20 0.41
POLB P06746 1/20 0.41
NPY2R P49146 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
SCHEMBL2198588 0.91 KMT2A (0.43) KMT2AIRAK4MEN1ALDH1A1L3MBTL1
SCHEMBL12429747 0.89 CYP2C9 (0.42) CYP2C9KMT2AIRAK4MEN1ALDH1A1
SCHEMBL3695155 0.88 CYP2C9 (0.42) CYP2C9KMT2AL3MBTL1L3MBTL3NPSR1
SCHEMBL2203232 0.87 ALDH1A1 (0.46) KMT2AIRAK4MEN1ALDH1A1L3MBTL1
SCHEMBL2201747 0.87 KMT2A (0.47) KMT2AIRAK4MEN1ALDH1A1L3MBTL1
SCHEMBL2201207 0.86 TRPV1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL2201211 0.86 TRPV1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL2201429 0.86 KMT2A (0.46) KMT2AIRAK4MEN1ALDH1A1L3MBTL1
SCHEMBL2199954 0.84 KMT2A (0.44) KMT2AIRAK4MEN1ALDH1A1L3MBTL1
SCHEMBL2198771 0.83 KMT2A (0.44) KMT2AIRAK4MEN1ALDH1A1L3MBTL1

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 8 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

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 CYP2C9 723/4885KMT2A 4057/4885IRAK4 146/4885

“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.