SCHEMBL3847356

SCHEMBL3847356

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ABL1 P00519 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
GCK P35557 2/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.40
RIOK2 Q9BVS4 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
HTT P42858 1/20 0.40
GSK3A P49840 1/20 0.39
MAPK10 P53779 1/20 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
SCHEMBL14872565 0.83 NPC1 (0.55) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL3846440 0.82 RIOK2 (0.49) PKMRIOK2MEN1KMT2A
SCHEMBL12133469 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL22367028 0.80 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL21045949 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL24598427 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL65910 0.76 ALDH1A1 (0.53) RIOK2
SCHEMBL23763303 0.71 NOS1 (0.47) RAB9ANPC1SMN1; SMN2PKMNOS1
SCHEMBL23012567 0.70 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2PKMGCK
SCHEMBL23988616 0.70 P2RX3 (0.45) RAB9ANPC1SMN1; SMN2PKMGCK

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
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

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 RAB9A 2369/4885NPC1 4573/4885SMN1; SMN2 3111/4885

“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.