SCHEMBL3228381

SCHEMBL3228381

CCc1nc(N)c(C(=O)OC)n1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL3229752 0.82 DAPK3 (0.43) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3232631 0.78 DAPK3 (0.40) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3236046 0.76 KDM4E (0.34) MAPK1TLR7KDM4EPTGER4NPSR1
SCHEMBL4893051 0.73 DAPK3 (0.41) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3231306 0.72 MAPK1 (0.56) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL4895350 0.68 ALDH1A1 (0.54) MAPK1TLR7KDM4EALDH1A1HPGD
SCHEMBL28819312 0.68 PTGS1 (0.40) JAK2TLR7KDM4EPTGER4NPSR1
SCHEMBL3228644 0.68 KMT2A (0.45) MAPK1KDM4EALDH1A1HPGDHTT
SCHEMBL8352410 0.67 NPSR1 (0.45) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL24688398 0.65 KDM4E (0.74) TLR7KDM4EPTGER4NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679444-A Xanthine compounds having positive allosteric GABAB receptor modulator action ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 DAPK3 3680/4885JAK2 3598/4885PRKD3 1907/4885

“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.