SCHEMBL2201663

SCHEMBL2201663

COc1ccc(C(F)(F)F)cc1-n1nc(C)c(C(=O)N2CCC(N3CCCC3)CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HTT P42858 1/20 0.40
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL2201414 0.86 L3MBTL3 (0.42) KDM4EALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL2227154 0.85 FFAR4 (0.38) TACR1NR1I2FFAR4ERAP1ERAP2
SCHEMBL2201418 0.83 KMT2A (0.49) TACR1KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL2201747 0.81 KMT2A (0.47) ALDH1A1L3MBTL3L3MBTL1KMT2AHTT
SCHEMBL2201429 0.81 KMT2A (0.46) ALDH1A1L3MBTL3L3MBTL1KMT2AHTT
SCHEMBL2198894 0.79 L3MBTL3 (0.44) KDM4EALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL2200565 0.78 LMNA (0.48) NR1I2KMT2AFFAR4ERAP1ERAP2
SCHEMBL2203254 0.76 L3MBTL3 (0.46) KDM4EALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL2198771 0.75 KMT2A (0.44) ALDH1A1L3MBTL3L3MBTL1KMT2AHTT
SCHEMBL2201064 0.75 PDE4D (0.54) NR1I2KMT2A

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
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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 TACR1 334/4885KDM4E 3694/4885ALDH1A1 1476/4885

“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.