SCHEMBL1786918

SCHEMBL1786918

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(Nc4cccc(CCC(=O)O)c4)c23)cc1.[Na]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.59
KDR P35968 4/20 0.53
TEK Q02763 4/20 0.53
CHEK1 O14757 2/20 0.52
CDK1 P06493 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
UBE2N P61088 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TNK2 Q07912 1/20 0.51
EGFR P00533 4/20 0.49
POLB P06746 1/20 0.47
RAD52 P43351 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
SCHEMBL1784928 0.99 AURKA (0.59) AURKAKDRTEKCHEK1CDK1
SCHEMBL1786913 0.98 AURKA (0.59) AURKAKDRTEKCHEK1CDK1
SCHEMBL1786452 0.93 AURKA (0.59) AURKAKDRTEKCHEK1CDK1
SCHEMBL1786914 0.92 AURKA (0.57) AURKAKDRTEKCHEK1CDK1
SCHEMBL14467225 0.91 AURKA (0.56) AURKAKDRTEKCHEK1CDK1
SCHEMBL1787383 0.91 AURKA (0.59) AURKAKDRTEKCHEK1CDK1
SCHEMBL1786309 0.88 AURKA (0.58) AURKAKDRTEKCHEK1CDK1
SCHEMBL1785548 0.87 AURKA (0.56) AURKAKDRTEKCHEK1CDK1
SCHEMBL1785776 0.86 AURKA (0.56) AURKAKDRTEKCHEK1CDK1
SCHEMBL1786150 0.86 AURKA (0.57) AURKAKDRTEKCHEK1CDK1

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 2 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-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 AURKA 3192/4885KDR 511/4885TEK 199/4885

“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.