SCHEMBL1108632

SCHEMBL1108632

CCCn1c(N)c(NC(C)=O)c(=O)n(C2CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EEF2 P13639 1/20 0.37
GAA P10253 3/20 0.36
ADORA1 P30542 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2B P29275 2/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CTSK P43235 3/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL10858163 0.83 ALDH1A1 (0.43) TDP1LMNANPSR1GAAADORA1
SCHEMBL1108635 0.79 EEF2K (0.46) EEF2KTDP1LMNAMAPTNPSR1
SCHEMBL12093967 0.77 ALDH1A1 (0.42) EEF2KLMNAMAPTNPSR1RXFP1
SCHEMBL1108636 0.74 EEF2K (0.43) EEF2KTDP1LMNANPSR1EEF2
SCHEMBL28144480 0.71 EEF2K (0.38) EEF2KLMNAMAPTNPSR1RXFP1
SCHEMBL12090721 0.69 EEF2K (0.46) EEF2KTDP1LMNAEEF2ADORA1
SCHEMBL12094032 0.68 EEF2K (0.43) EEF2KLMNAMAPTALDH1A1HSD17B10
SCHEMBL7278269 0.68 KCNQ3 (0.46) TDP1MAPTGAAALDH1A1HSD17B10
SCHEMBL7278280 0.66 LMNA (0.48) LMNAGAAADORA1ALDH1A1HSD17B10
SCHEMBL1108631 0.66 EEF2K (0.48) EEF2KEEF2ADORA1ALDH1A1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES PGXHEALTH, LLC (US) 2010-05-13 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 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 (2 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-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 EEF2K 2793/4885TDP1 2304/4885LMNA 2681/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2793/4885TDP1 2304/4885LMNA 2681/4885

“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.