SCHEMBL4524848

SCHEMBL4524848

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC(C)OCCC(=O)O)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.45
CHEK1 O14757 2/20 0.45
EGFR P00533 4/20 0.42
MERTK Q12866 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNK2 Q07912 2/20 0.40
JAK2 O60674 1/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
ZAP70 P43403 1/20 0.40
JAK3 P52333 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL6750799 1.00 AURKA (0.45) AURKACHEK1EGFRMERTKKDM4E
SCHEMBL6750806 1.00 AURKA (0.45) AURKACHEK1EGFRMERTKKDM4E
SCHEMBL12409727 0.91 AURKA (0.37) AURKACHEK1EGFRMERTKTNK2
SCHEMBL12409728 0.91 AURKA (0.40) AURKACHEK1EGFRMERTKAURKB
SCHEMBL4527789 0.90 AURKA (0.37) AURKACHEK1EGFRMERTKKDM4E
SCHEMBL6750820 0.90 KDM4E (0.54) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL4535586 0.90 KDM4E (0.54) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL6750796 0.90 KDM4E (0.54) AURKACHEK1EGFRKDM4EALDH1A1
SCHEMBL4537979 0.87 AURKA (0.45) AURKACHEK1EGFRMERTKKDM4E
SCHEMBL6750805 0.87 AURKA (0.45) AURKACHEK1EGFRMERTKKDM4E

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 6 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-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
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 AURKA 2909/4885CHEK1 969/4885EGFR 4423/4885

“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.