SCHEMBL2197343

SCHEMBL2197343

Cc1c(C(=O)N2CCC(N3CCOCC3)CC2)nn(C)c1-c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 5/20 0.51
MKNK1 Q9BUB5 5/20 0.51
MKNK2 Q9HBH9 5/20 0.51
PIK3CD O00329 6/20 0.42
PIK3R2 O00459 5/20 0.42
PIK3CA P42336 5/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CG P48736 5/20 0.42
PIK3R5 Q8WYR1 5/20 0.42
PIK3R3 Q92569 5/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL2197341 0.88 MKNK1 (0.51) EIF4EMKNK1MKNK2PIK3CDACACB
SCHEMBL2201258 0.81 ALDH1A1 (0.42) EIF4EMKNK1MKNK2MEN1KMT2A
SCHEMBL3689666 0.80 POLR1A (0.41) EIF4EMKNK1MKNK2CBX7CDYL2
SCHEMBL2201674 0.79 DRD3 (0.40) EIF4EMKNK1MKNK2MEN1KMT2A
SCHEMBL2202074 0.79 ALDH1A1 (0.47) MKNK1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2200712 0.78 GRIN2B (0.44) EIF4EMKNK1MKNK2MEN1KMT2A
SCHEMBL2199010 0.77 KDM4E (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2203144 0.73 MAPT (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2201254 0.69 ALDH1A1 (0.41) EIF4EMKNK1MKNK2MEN1KMT2A
SCHEMBL2230472 0.69 POLR1A (0.41) 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 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 EIF4E 3310/4885MKNK1 3166/4885MKNK2 2220/4885

“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.