SCHEMBL4697464

SCHEMBL4697464

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4CCCNC4)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
UBE2N P61088 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TNK2 Q07912 4/20 0.53
KDR P35968 6/20 0.49
TEK Q02763 6/20 0.49
GSK3B P49841 1/20 0.45
CHEK1 O14757 1/20 0.43
CDK1 P06493 1/20 0.43
LCK P06239 3/20 0.43
AURKA O14965 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
JAK3 P52333 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1785404 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
Formic Acid SCHEMBL1789053 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607050 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4751375 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607049 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4695250 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4748283 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1787658 0.82 CHEK1 (0.42) TNK2KDRCHEK1LCKAURKA
SCHEMBL12607051 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14467289 0.81 KDM4E (0.60) 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 9 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-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
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
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP 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 KDM4E 4173/4885ALDH1A1 472/4885HPGD 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.