SCHEMBL2225370

SCHEMBL2225370

COc1c(C)cc(-c2nc3cnc(Oc4cccnc4)nc3o2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.58
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TGFBR1 P36897 1/20 0.36
BRAF P15056 1/20 0.36
MAPT P10636 4/20 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
SCHEMBL2228763 0.89 S1PR1 (0.64) S1PR1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL15966895 0.88 S1PR1 (0.54) S1PR1MAPK1HTTSMN1; SMN2NPC1
SCHEMBL14796985 0.84 S1PR1 (0.57) S1PR1POLBMAPK1HTTSMN1; SMN2
SCHEMBL2225593 0.80 S1PR1 (0.52) S1PR1POLBNPC1KDM4EALDH1A1
SCHEMBL2224650 0.78 S1PR1 (0.58) S1PR1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL14797011 0.78 S1PR1 (0.82) S1PR1MAPK1KDM4EALDH1A1HPGD
SCHEMBL2223368 0.78 S1PR1 (0.83) S1PR1MAPK1KDM4EALDH1A1CYP1A2
SCHEMBL14797017 0.75 S1PR1 (0.73) S1PR1HTTKDM4EALDH1A1HPGD
SCHEMBL2221025 0.75 S1PR1 (0.83) S1PR1POLBMAPK1HTTSMN1; SMN2
SCHEMBL2224775 0.74 S1PR1 (0.48) S1PR1SMN1; SMN2KDM4EALDH1A1TP53

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 1027/4885POLB 386/4885MAPK1 1148/4885

“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.