SCHEMBL6750848

SCHEMBL6750848

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC[C@H](C)OCCC(=O)O)c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.60
CHEK1 O14757 3/20 0.58
CDK1 P06493 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TNK2 Q07912 3/20 0.56
POLB P06746 2/20 0.53
RAD52 P43351 2/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
UBE2N P61088 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EGFR P00533 4/20 0.51
MAP2K1 Q02750 1/20 0.51
KDR P35968 2/20 0.51
TEK Q02763 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
JAK2 O60674 1/20 0.50

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
SCHEMBL4527849 1.00 AURKA (0.60) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL4530921 0.95 AURKA (0.58) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL6750876 0.95 AURKA (0.58) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL4698029 0.90 AURKA (0.62) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL6749226 0.85 AURKA (0.84) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL6749207 0.85 AURKA (0.84) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL4519943 0.85 AURKA (0.84) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL6750796 0.84 KDM4E (0.54) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL6750820 0.84 KDM4E (0.54) AURKACHEK1CDK1MEN1KMT2A
SCHEMBL4535586 0.84 KDM4E (0.54) AURKACHEK1CDK1MEN1KMT2A

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 5 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
WO-2007079862-A1 NOVEL, ACYCLIC 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT AURKA 2909/4885CHEK1 969/4885CDK1 1366/4885

“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.