SCHEMBL8259458

SCHEMBL8259458

CC(=O)N(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TGM2 P21980 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDK2 Q15119 1/20 0.43
HTT P42858 2/20 0.42
NPY2R P49146 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8250910 0.89 NPY2R (0.45) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL8257614 0.84 GPR119 (0.48) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL3251913 0.84 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL22532774 0.81 SMN1; SMN2 (0.56) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL8256226 0.81 L3MBTL1 (0.49) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL8251175 0.81 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL4951947 0.80 ESR2 (0.52) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL3929365 0.80 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL30221986 0.80 ESR2 (0.52) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL660403 0.79 NR1H2 (0.53) L3MBTL1MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 L3MBTL1 3697/4885MAPT 2814/4885ALDH1A1 591/4885

“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.