SCHEMBL1787689

SCHEMBL1787689

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
UBE2N P61088 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TEK Q02763 8/20 0.44
KDR P35968 6/20 0.44
AURKA O14965 2/20 0.42
CHEK1 O14757 1/20 0.41
CDK1 P06493 1/20 0.41
LCK P06239 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MERTK Q12866 1/20 0.40
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL1788637 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1788638 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL14467296 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1788636 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1787688 1.00 TNK2 (0.48) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1787848 0.97 KDM4E (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1786238 0.97 KDM4E (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1786236 0.97 KDM4E (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1786237 0.97 KDM4E (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL1787849 0.97 KDM4E (0.49) 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 4 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

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.