SCHEMBL1786593

SCHEMBL1786593

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H]4CCCN(CCC(=O)O)C4)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
UBE2N P61088 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDR P35968 7/20 0.46
LCK P06239 6/20 0.46
EGFR P00533 3/20 0.46
SRC P12931 2/20 0.46
ZAP70 P43403 2/20 0.46
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.46
TEK Q02763 5/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL1785467 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL12607170 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL4750471 0.95 TNK2 (0.47) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL12607137 0.94 TNK2 (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1787960 0.91 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL4753075 0.91 KDM4E (0.51) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL4698145 0.89 TNK2 (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1787327 0.88 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1785560 0.87 KDM4E (0.40) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL12607061 0.86 TNK2 (0.47) TNK2KDM4EALDH1A1HPGDUBE2N

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-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 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 TNK2 1169/4885KDM4E 4173/4885ALDH1A1 472/4885

“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.