SCHEMBL4533384

SCHEMBL4533384

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC[C@H](C)COCC(=O)O)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 12/20 0.36
EGFR P00533 3/20 0.35
AURKB Q96GD4 1/20 0.35
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6751225 0.91 AURKA (0.41) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL4521045 0.90 KDM4E (0.44) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL4519987 0.90 CHEK1 (0.46) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL4533456 0.90 CHEK1 (0.46) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL4530792 0.89 AURKA (0.34) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL14463686 0.88 AURKA (0.36) CHEK1AURKAEGFRAURKBKDR
SCHEMBL4530791 0.86 MERTK (0.34) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL12409724 0.86 CHEK1 (0.37) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL4527789 0.85 AURKA (0.37) MERTKCHEK1AURKAEGFRAURKB
SCHEMBL14923143 0.83 AURKA (0.41) CHEK1AURKAKDRTEKKDM4E

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 8 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
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

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 MERTK 1999/4885CHEK1 969/4885AURKA 2909/4885

“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.