SCHEMBL6748429

SCHEMBL6748429

COc1ccc(-c2c(-c3ccccc3)oc3nccc(Cl)c23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
UBE2N P61088 1/20 0.63
TEK Q02763 6/20 0.55
KDR P35968 4/20 0.55
THRB P10828 3/20 0.53
GSK3B P49841 1/20 0.52
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
TNK2 Q07912 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13436251 0.88 TNK2 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL3565845 0.83 AURKA (0.49) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL2975999 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL1785974 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL3051089 0.82 TNK2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL3047792 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL13087468 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL13271833 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL12355051 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL13087434 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N

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-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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 (2 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
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT KDM4E 3800/4885ALDH1A1 318/4885HPGD 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.