SCHEMBL2222693

SCHEMBL2222693

O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
APP P05067 6/20 0.38
CYP2C19 P33261 1/20 0.38
GYS1 P13807 2/20 0.36
DGAT1 O75907 3/20 0.33
CYP3A4 P08684 1/20 0.33
BTK Q06187 1/20 0.33
S1PR1 P21453 2/20 0.33
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL14777609 1.00 HRH3 (0.38) HRH3APPCYP2C19GYS1DGAT1
SCHEMBL14777610 1.00 HRH3 (0.38) HRH3APPCYP2C19GYS1DGAT1
SCHEMBL14777420 0.90 ROCK2 (0.35) HRH3APPCYP2C19BTKSCN9A
SCHEMBL14777421 0.90 ROCK2 (0.35) HRH3APPCYP2C19BTKSCN9A
SCHEMBL14777422 0.90 ROCK2 (0.35) HRH3APPCYP2C19BTKSCN9A
SCHEMBL2222697 0.90 HRH3 (0.37) HRH3APPCYP2C19CYP3A4BTK
SCHEMBL2223315 0.85 GYS1 (0.44) GYS1
SCHEMBL14777269 0.85 GYS1 (0.44) GYS1
SCHEMBL2222333 0.84 HRH3 (0.33) HRH3APPCYP3A4BTKS1PR1
SCHEMBL2223226 0.84 GYS1 (0.41) GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846690-B2 Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US claimed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP claimed
US-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-21 US claimed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP claimed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
US-8846690-B2 Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
US-8846690-B2 Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
US-8846690-B2 Heterocyclic carboxylic acid derivatives having a 2,5-substituted oxazolopyrimidine ring SANOFI (FR) 2014-09-30 US disclosed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
US-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-21 US disclosed
US-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-21 US disclosed
US-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2013-03-21 US disclosed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 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-20130072502-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING OXGR1, EDNRA, EDF1 HRH3 249/4885APP 3952/4885CYP2C19 521/4885

“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.