SCHEMBL8250833

SCHEMBL8250833

CCOC(=O)Nc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPT P10636 6/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPY2R P49146 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL2406029 0.86 HTT (0.58) L3MBTL1MAPTNPC1RAB9AHTT
SCHEMBL8250931 0.82 TSHR (0.50) L3MBTL1MAPKAPK2KDM4EMAPTNPC1
SCHEMBL8256074 0.82 MAPKAPK2 (0.55) L3MBTL1MAPKAPK2KDM4EMAPTNPC1
SCHEMBL5229261 0.81 L3MBTL1 (0.48) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL8250825 0.81 L3MBTL1 (0.59) L3MBTL1KDM4EMAPTNPC1HTT
SCHEMBL30063444 0.81 L3MBTL1 (0.59) L3MBTL1KDM4EMAPTNPC1HTT
SCHEMBL4009548 0.81 NPY2R (0.61) KDM4ENPY2R
SCHEMBL14186491 0.80 MAPKAPK2 (0.53) L3MBTL1MAPKAPK2KDM4EMAPTNPC1
Hydrochloric Acid SCHEMBL5077975 0.80 NPY2R (0.60) KDM4ENPY2R
SCHEMBL8250956 0.80 MAPK1 (0.53) L3MBTL1KDM4EMAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3697/4885MAPKAPK2 2250/4885KDM4E 4567/4885

“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.