SCHEMBL3229752

SCHEMBL3229752

CCc1nc(N)c(C(=O)OC)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKACA P17612 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
CLK2 P49760 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL4893051 0.87 DAPK3 (0.41) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3228644 0.85 KMT2A (0.45) MAPK1ALDH1A1LMNAKDM4EHPGD
SCHEMBL3228381 0.82 DAPK3 (0.42) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3232631 0.80 DAPK3 (0.40) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3228711 0.76 MAPK1 (0.46) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL3240638 0.75 SMN1; SMN2 (0.34) NPSR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL3231306 0.73 MAPK1 (0.56) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL23214476 0.68 NPSR1 (0.36) DAPK3JAK2PRKD3MAP4K4ABL1
SCHEMBL9316963 0.68 KDM4E (0.36) ALOX15KDM4EGAA
SCHEMBL13940734 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
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
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 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
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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 (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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 DAPK3 3680/4885JAK2 3598/4885PRKD3 1907/4885
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 DAPK3 3486/4885JAK2 2952/4885PRKD3 2038/4885

“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.