SCHEMBL3846440

SCHEMBL3846440

C=C(C)OC(=O)Nc1cc(CC)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.48
NR3C2 P08235 11/20 0.42
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
ERBB4 Q15303 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
BRAF P15056 1/20 0.39
LCLAT1 Q6UWP7 2/20 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
SCHEMBL20988697 0.84 RIOK2 (0.54) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL3847356 0.82 RAB9A (0.48) RIOK2MEN1KMT2APKM
SCHEMBL91333 0.81 RIOK2 (0.57) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL2619305 0.79 RIOK2 (0.63) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL15354529 0.79 RIOK2 (0.50) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL21348776 0.77 RIOK2 (0.48) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL65910 0.77 ALDH1A1 (0.53) RIOK2NR3C2BRAF
SCHEMBL14273251 0.75 BRAF (0.61) RIOK2PKMJAK3BRAF
SCHEMBL13180241 0.75 PKM (0.64) RIOK2MEN1KMT2APKMNR3C2
SCHEMBL13180243 0.74 RIOK2 (0.60) RIOK2MEN1KMT2APKMNR3C2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125808-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-02 EP disclosed
EP-2042500-A1 N-[4-(1-H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[(hetero)aryl]-urea compounds, pharmaceutical compositions comprising them, their preparation and their use as Tie2-kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. BAYER SCHERING PHARMA AG (DE) 2009-03-05 US disclosed
WO-2008071456-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932845-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. KDR, FLT4, TIE1 RIOK2 1093/4885MEN1 1474/4885KMT2A 1707/4885

“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.