SCHEMBL3231306

SCHEMBL3231306

CCc1nc(N)c(C(=O)OC)n1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 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
SCHEMBL4859820 0.86 MAPK1 (0.42) MAPK1GABRA2GABRB2POLBMEN1
SCHEMBL3241542 0.82 MAPK1 (0.59) MAPK1DAPK3JAK2PRKD3MAP4K4
SCHEMBL3229752 0.73 DAPK3 (0.43) MAPK1DAPK3JAK2PRKD3MAP4K4
SCHEMBL3228381 0.72 DAPK3 (0.42) MAPK1GABRA2GABRB2DAPK3JAK2
SCHEMBL4892358 0.70 MAPK1 (0.45) MAPK1GABRA2GABRB2DAPK3JAK2
SCHEMBL3232631 0.70 DAPK3 (0.40) MAPK1DAPK3JAK2PRKD3MAP4K4
SCHEMBL4897706 0.69 MAPK1 (0.40) MAPK1GABRA2GABRB2POLBMEN1
SCHEMBL29720708 0.69 MAPT (0.47) MAPK1POLBMEN1KMT2AKDM4E
SCHEMBL23148032 0.68 KDM4E (0.50) MAPK1POLBMEN1KMT2AKDM4E
SCHEMBL14248991 0.68 ADORA3 (0.50) MAPK1MEN1KMT2AKDM4EL3MBTL1

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 MAPK1 2785/4885GABRA2 12/4885GABRB2 5/4885

“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.