SCHEMBL1944149

SCHEMBL1944149

COCCOc1ccc(C=O)cn1.COCCOc1ccc(CO)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ACACB O00763 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FDPS P14324 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL1844682 0.88 ACACB (0.45) ACACBNAMPTLIPGPIK3CDPIK3CA
SCHEMBL1943866 0.88 KDM4E (0.53) KDM4EACACBNAMPTALDH1A1L3MBTL1
SCHEMBL29417023 0.88 KDM4E (0.53) KDM4EACACBNAMPTALDH1A1L3MBTL1
SCHEMBL29416970 0.84 KDM4E (0.49) KDM4EACACBALDH1A1L3MBTL1FDPS
SCHEMBL20489915 0.84 KDM4E (0.49) KDM4EACACBALDH1A1L3MBTL1FDPS
SCHEMBL18810341 0.81 KDM4E (0.51) KDM4EALDH1A1L3MBTL1FDPSMAPT
SCHEMBL5247460 0.80 MAPT (0.56) ACACBNAMPTL3MBTL1LIPGMAPT
SCHEMBL16935051 0.79 ACACB (0.43) ACACBNAMPTL3MBTL1LIPGPIK3CD
SCHEMBL245424 0.77 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1FDPSPIK3CD
SCHEMBL29611929 0.76 ALDH1A1 (0.49) KDM4EALDH1A1L3MBTL1FDPSPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 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 (4 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 KDM4E 4370/4885ACACB 3962/4885NAMPT 1329/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 KDM4E 4370/4885ACACB 3962/4885NAMPT 1329/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 KDM4E 4220/4885ACACB 3345/4885NAMPT 1527/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 KDM4E 4195/4885ACACB 3268/4885NAMPT 1465/4885

“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.