SCHEMBL1786150

SCHEMBL1786150

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(Nc4cccc(OCC(=O)O)c4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.57
TEK Q02763 6/20 0.56
KDR P35968 4/20 0.56
CHEK1 O14757 2/20 0.56
CDK1 P06493 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TNK2 Q07912 1/20 0.53
EGFR P00533 4/20 0.50
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49

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
SCHEMBL1785544 0.99 AURKA (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1785548 0.99 AURKA (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1787420 0.98 CHEK1 (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1789691 0.94 AURKA (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1788684 0.94 AURKA (0.64) AURKACHEK1EGFR
SCHEMBL1788764 0.93 TEK (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1785545 0.93 AURKA (0.55) AURKATEKKDRCHEK1CDK1
SCHEMBL1785332 0.91 AURKA (0.59) AURKACHEK1EGFR
SCHEMBL1787117 0.91 CHEK1 (0.56) AURKATEKKDRCHEK1CDK1
SCHEMBL1786828 0.91 AURKA (0.59) AURKACHEK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT AURKA 3192/4885TEK 199/4885KDR 511/4885

“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.