SCHEMBL1829340

SCHEMBL1829340

CCCOc1nc(CN2CCOCC2)nc2c1N(OC(=O)C(F)(F)F)C(c1ccc(Br)o1)O2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDE5A O76074 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL1829569 0.87 ALDH1A1 (0.34) L3MBTL1MEN1KMT2AKDM4EUSP2
Trifluoroacetic Acid SCHEMBL1829337 0.74 KCNJ1 (0.35) L3MBTL1MEN1KMT2AKDM4EUSP2
SCHEMBL2319071 0.71 POLB (0.36) MEN1KMT2AKDM4E
SCHEMBL1830239 0.69 ADORA2A (0.38) L3MBTL1MEN1KMT2AKDM4EUSP2
Trifluoroacetic Acid SCHEMBL1829567 0.66 ADORA2A (0.36) L3MBTL1MEN1KMT2AKDM4EUSP2
Trifluoroacetic Acid SCHEMBL1831202 0.63 ALDH1A1 (0.40) L3MBTL1KDM4EALDH1A1MAPTCASP7
Trifluoroacetic Acid SCHEMBL1829821 0.62 PDE2A (0.36) L3MBTL1MEN1KMT2AKDM4EUSP2
SCHEMBL1830594 0.60 ALDH1A1 (0.40) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL1829200 0.58 PDE4B (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1829965 0.57 PDE2A (0.40) L3MBTL1MEN1KMT2AKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 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-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 L3MBTL1 2869/4885MEN1 4180/4885KMT2A 4190/4885

“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.