Sugi Predict

Sugi Predict / Compounds / SCHEMBL1785776

SCHEMBL1785776

SCHEMBL1785776

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(Nc4cccc(CC(=O)NN)c4)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.56
▸ TEK Q02763 7/20 0.55
▸ KDR P35968 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ UBE2N P61088 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CHEK1 O14757 2/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TNK2 Q07912 1/20 0.50
▸ MERTK Q12866 1/20 0.49
▸ EGFR P00533 2/20 0.47
▸ 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
SCHEMBL1787383 0.92 AURKA (0.59) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786309 0.91 AURKA (0.58) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1784928 0.87 AURKA (0.59) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786913 0.86 AURKA (0.59) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786452 0.86 AURKA (0.59) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786918 0.86 AURKA (0.59) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786914 0.85 AURKA (0.57) AURKATEKKDRKDM4EALDH1A1
SCHEMBL14467225 0.84 AURKA (0.56) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1788764 0.84 TEK (0.56) AURKATEKKDRKDM4EALDH1A1
SCHEMBL1786150 0.83 AURKA (0.57) AURKATEKKDRKDM4EALDH1A1

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 7 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
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 — — 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT AURKA 3192/4885TEK 199/4885KDR 511/4885

“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.