SCHEMBL12607248

SCHEMBL12607248

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@@H]4CC[C@H](OCC(=O)OC(C)(C)C)C4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.43
MERTK Q12866 1/20 0.39
CHEK1 O14757 2/20 0.39
TNK2 Q07912 5/20 0.38
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
UBE2N P61088 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKB Q96GD4 1/20 0.37
LCK P06239 2/20 0.36

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
SCHEMBL14467153 1.00 AURKA (0.43) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL14467485 1.00 AURKA (0.43) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL12607257 1.00 AURKA (0.43) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL12607233 0.97 AURKA (0.40) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL12607234 0.97 AURKA (0.40) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL12607014 0.91 AURKA (0.42) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1787848 0.91 KDM4E (0.49) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1786237 0.91 KDM4E (0.49) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1786236 0.91 KDM4E (0.49) AURKAMERTKCHEK1TNK2EGFR
SCHEMBL1786238 0.91 KDM4E (0.49) AURKAMERTKCHEK1TNK2EGFR

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-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
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 3192/4885MERTK 974/4885CHEK1 291/4885

“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.