SCHEMBL1785336

SCHEMBL1785336

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@H]4CCC[C@@H](OCC(=O)O)C4)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.37
FFAR4 Q5NUL3 6/20 0.34
TNK2 Q07912 5/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 5/20 0.34
LCK P06239 1/20 0.33
AURKB Q96GD4 1/20 0.33
EGFR P00533 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
SCHEMBL3125008 1.00 MERTK (0.37) MERTKFFAR4TNK2CHEK1AURKA
SCHEMBL12607272 0.91 CHEK1 (0.43) MERTKTNK2CHEK1AURKALCK
SCHEMBL12607276 0.91 CHEK1 (0.43) MERTKTNK2CHEK1AURKALCK
SCHEMBL1786511 0.91 MERTK (0.33) MERTKFFAR4TNK2AURKALCK
SCHEMBL1786037 0.91 MERTK (0.33) MERTKFFAR4TNK2AURKALCK
SCHEMBL1785444 0.91 MERTK (0.33) MERTKFFAR4TNK2AURKALCK
SCHEMBL3124995 0.87 MERTK (0.34) MERTKTNK2AURKALCK
SCHEMBL14467227 0.87 AURKA (0.36) MERTKTNK2CHEK1AURKALCK
SCHEMBL3125001 0.87 AURKA (0.36) MERTKTNK2CHEK1AURKALCK
SCHEMBL1787745 0.87 AURKA (0.36) MERTKTNK2CHEK1AURKALCK

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 MERTK 974/4885FFAR4 2151/4885TNK2 1169/4885

“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.