SCHEMBL2201988

SCHEMBL2201988

CCOC(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1COC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APP P05067 1/20 0.49
ADORA1 P30542 1/20 0.49
PDE4D Q08499 4/20 0.49
PDE4B Q07343 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2198785 0.88 POLB (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2201286 0.86 PDE4D (0.67) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2197562 0.83 MAPT (0.49) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2200430 0.80 MAPT (0.49) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2201029 0.78 PDE4D (0.53) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2198980 0.77 IRAK4 (0.45) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL6586118 0.76 MAPT (0.57) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL22920709 0.75 MAPT (0.53) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2198107 0.73 MAPT (0.50) MAPTLMNASMN1; SMN2APPADORA1
SCHEMBL2199984 0.73 POLB (0.52) MEN1KMT2APOLBCYP1A2

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 MAPT 4214/4885LMNA 4701/4885SMN1; SMN2 4368/4885

“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.