SCHEMBL2230472

SCHEMBL2230472

CCN(CC)C1CCN(C(=O)c2nn(C)c(-c3cccc(-c4cc5ccccc5o4)c3)c2C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
EIF4E P06730 2/20 0.39
KCNH2 Q12809 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
JAK1 P23458 1/20 0.39
KDM1A O60341 1/20 0.37
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3689666 0.89 POLR1A (0.41) POLR1AHRH3EIF4EKCNH2MKNK1
SCHEMBL2198055 0.87 POLR1A (0.41) POLR1AHRH3EIF4EKCNH2MKNK1
SCHEMBL2201649 0.86 JAK1 (0.44) POLR1AHRH3JAK1KDM1A
SCHEMBL2199991 0.84 HTR2A (0.43) POLR1AEIF4EKCNH2MKNK1MKNK2
SCHEMBL2202912 0.84 KDM1A (0.42) POLR1AEIF4EKCNH2MKNK1MKNK2
SCHEMBL2202405 0.82 GRM5 (0.46) POLR1AHRH3JAK1SMN1; SMN2
SCHEMBL2201518 0.82 JAK1 (0.41) POLR1AHRH3JAK1KDM1A
SCHEMBL2202536 0.82 GRM5 (0.47) POLR1AHRH3JAK1ALDH1A1HPGD
SCHEMBL2201512 0.82 JAK1 (0.43) POLR1AHRH3JAK1
SCHEMBL2197341 0.81 MKNK1 (0.51) EIF4EMKNK1MKNK2CBX7CDYL2

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 9 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
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 POLR1A 1494/4885HRH3 108/4885EIF4E 3310/4885

“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.