SCHEMBL2228763

SCHEMBL2228763

COc1c(C)cc(-c2nc3cnc(Oc4ccccc4)nc3o2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.64
ALDH1A1 P00352 17/20 0.40
CYP1A2 P05177 16/20 0.40
CYP3A4 P08684 14/20 0.40
USP2 O75604 11/20 0.40
TSHR P16473 7/20 0.39
MAPK1 P28482 3/20 0.39
HPGD P15428 7/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2C9 P11712 10/20 0.38
CYP2C19 P33261 8/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HSD17B10 Q99714 5/20 0.38
CASP1 P29466 4/20 0.38
CASP7 P55210 4/20 0.38
CYP2D6 P10635 1/20 0.38
F2 P00734 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL2225370 0.89 S1PR1 (0.58) S1PR1ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL2223368 0.87 S1PR1 (0.83) S1PR1ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL2225593 0.86 S1PR1 (0.52) S1PR1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL14797011 0.83 S1PR1 (0.82) S1PR1ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL2224650 0.81 S1PR1 (0.58) S1PR1ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL14797147 0.81 S1PR1 (0.67) S1PR1ALDH1A1CYP1A2CYP3A4USP2
SCHEMBL2223316 0.80 S1PR1 (0.75) S1PR1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL2221025 0.80 S1PR1 (0.83) S1PR1ALDH1A1TSHRMAPK1HPGD
SCHEMBL14797145 0.80 S1PR1 (0.77) S1PR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2222826 0.79 S1PR1 (0.73) S1PR1ALDH1A1CYP1A2CYP3A4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US claimed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP claimed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US claimed
EP-2523963-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2012-11-21 EP claimed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US disclosed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP disclosed
US-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2013-03-21 US disclosed
EP-2523963-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086081-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES 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-20130072501-A1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES DPYD, CDK2, CCNT2 S1PR1 1027/4885ALDH1A1 72/4885CYP1A2 114/4885

“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.