SCHEMBL1787658

SCHEMBL1787658

Brc1c(-c2ccccc2)oc2ncnc(OC3CCCNC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
KCNH2 Q12809 1/20 0.42
EGFR P00533 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
AURKA O14965 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TNK2 Q07912 4/20 0.36
ROCK1 Q13464 3/20 0.36
CDC42BPB Q9Y5S2 3/20 0.36
LCK P06239 3/20 0.36
ROCK2 O75116 2/20 0.36
CDC42BPA Q5VT25 1/20 0.36
ABL1 P00519 1/20 0.36
LYN P07948 1/20 0.36
BTK Q06187 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL4748301 0.82 AURKA (0.44) CHEK1EGFRAURKATNK2LCK
SCHEMBL4697464 0.82 KDM4E (0.56) CHEK1EGFRAURKATNK2LCK
SCHEMBL1785285 0.73 EGFR (0.37) CHEK1EGFRAURKATNK2LCK
SCHEMBL12607075 0.73 EGFR (0.37) CHEK1EGFRAURKATNK2LCK
SCHEMBL12607076 0.73 EGFR (0.37) CHEK1EGFRAURKATNK2LCK
SCHEMBL1785404 0.73 KDM4E (0.43) CHEK1ALOX5APFEN1TNK2KDR
SCHEMBL3127835 0.73 AURKA (0.36) CHEK1EGFRAURKATNK2LCK
SCHEMBL12607073 0.73 PIK3CD (0.47) EGFR
SCHEMBL1786399 0.72 ALOX5AP (0.41) CHEK1ALOX5APFEN1TNK2ROCK1
SCHEMBL1786971 0.70 EGFR (0.37) EGFRCHRNB2CHRNA4AURKATNK2

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-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
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 CHEK1 291/4885KCNH2 2595/4885EGFR 4141/4885

“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.