SCHEMBL4535596

SCHEMBL4535596

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H](C)CO)c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
UBE2N P61088 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CHEK1 O14757 3/20 0.55
CDK1 P06493 1/20 0.55
KDR P35968 5/20 0.55
TEK Q02763 5/20 0.55
AURKA O14965 4/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TNK2 Q07912 1/20 0.51
GSK3B P49841 1/20 0.49
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 2/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47

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
SCHEMBL6749027 1.00 KDM4E (0.62) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4525551 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4531151 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4525589 0.88 AURKA (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749031 0.88 AURKA (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527063 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535658 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530269 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4696958 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530280 0.85 KDM4E (0.67) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT KDM4E 3800/4885ALDH1A1 318/4885HPGD 75/4885

“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.