SCHEMBL1787239

SCHEMBL1787239

COC(=O)CCCN1CCC[C@@H](Oc2ncnc3oc(-c4ccccc4F)c(-c4ccc(OC)cc4)c23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
TNK2 Q07912 5/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KDR P35968 5/20 0.38
TEK Q02763 5/20 0.38
LCK P06239 3/20 0.37
EGFR P00533 2/20 0.37

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
SCHEMBL14467476 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL1785560 0.94 KDM4E (0.40) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL1787367 0.93 TNK2 (0.36) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL1787960 0.91 TNK2 (0.48) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL12607137 0.87 TNK2 (0.49) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL14467158 0.86 CHRNB4 (0.38) KDM4EALDH1A1NPSR1TNK2KDR
SCHEMBL1787145 0.86 CHRNB4 (0.38) KDM4EALDH1A1NPSR1TNK2KDR
SCHEMBL1787517 0.86 EGFR (0.35) KDM4EALDH1A1TNK2KDRLCK
SCHEMBL4750471 0.85 TNK2 (0.47) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL4750936 0.85 TNK2 (0.42) KDM4EALDH1A1HPGDKMT2ANPSR1

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 8 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-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.