SCHEMBL6749031

SCHEMBL6749031

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H](C)CO)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.54
EGFR P00533 6/20 0.48
CHEK1 O14757 3/20 0.47
MAP2K1 Q02750 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
UBE2N P61088 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TNK2 Q07912 2/20 0.46
JAK2 O60674 1/20 0.42
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
ZAP70 P43403 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4525589 1.00 AURKA (0.54) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL14021589 0.88 AURKA (0.53) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL6749778 0.88 AURKA (0.53) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL4535596 0.88 KDM4E (0.62) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL6749027 0.88 KDM4E (0.62) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL4534089 0.85 CHEK1 (0.44) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL4531353 0.85 AURKA (0.45) AURKAEGFRCHEK1KDM4EALDH1A1
Formic Acid SCHEMBL4527841 0.85 AURKA (0.50) AURKAEGFRCHEK1MAP2K1TNK2
SCHEMBL6749032 0.84 AURKA (0.55) AURKAEGFRCHEK1MAP2K1KDM4E
SCHEMBL4531686 0.84 AURKA (0.55) AURKAEGFRCHEK1MAP2K1KDM4E

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-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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 (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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT AURKA 2909/4885EGFR 4423/4885CHEK1 969/4885

“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.