SCHEMBL4521045

SCHEMBL4521045

COc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC[C@H](C)COCC(=O)O)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
UBE2N P61088 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TEK Q02763 10/20 0.44
KDR P35968 8/20 0.44
AURKA O14965 1/20 0.40
CHEK1 O14757 1/20 0.40
CDK1 P06493 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MERTK Q12866 1/20 0.39
THRB P10828 2/20 0.38
TNK2 Q07912 1/20 0.38
FLT1 P17948 1/20 0.37
AURKB Q96GD4 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL4519939 0.91 AURKA (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14923143 0.91 AURKA (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4533384 0.90 MERTK (0.37) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527320 0.90 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409722 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6751225 0.82 AURKA (0.41) KDM4EALDH1A1HPGDAURKACHEK1
SCHEMBL4533391 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4533427 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4520006 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519987 0.79 CHEK1 (0.46) 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 10 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-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.