SCHEMBL2198058

SCHEMBL2198058

CCN(CC)C1CCN(C(=O)c2c(C)c(-c3ccccc3-c3cc4ccccc4o3)nn2C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.41
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 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
KDM1A O60341 1/20 0.38
RAB9A P51151 2/20 0.37
HTR2C P28335 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
JAK1 P23458 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 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
SCHEMBL2198055 0.89 POLR1A (0.41) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL3689666 0.87 POLR1A (0.41) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2199993 0.83 HTR2A (0.51) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2202913 0.83 POLR1A (0.42) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2230472 0.79 POLR1A (0.41) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2200044 0.78 POLR1A (0.43) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2199991 0.75 HTR2A (0.43) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2202912 0.75 KDM1A (0.42) POLR1ACBX7CDYL2CDYLEIF4E
SCHEMBL2200016 0.75 JAK1 (0.41) POLR1AKDM1AALDH1A1JAK1TSHR
SCHEMBL13973643 0.74 VCP (0.40) EIF4EKCNH2MKNK1MKNK2KDM1A

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 POLR1A 1494/4885CBX7 453/4885CDYL2 906/4885

“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.