SCHEMBL4535575

SCHEMBL4535575

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H](C)CN(C)CCCC(=O)OC)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.44
EGFR P00533 7/20 0.42
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42
CHEK1 O14757 2/20 0.41
MEN1 O00255 1/20 0.41
TNK2 Q07912 2/20 0.39
MERTK Q12866 1/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL4527236 0.93 CHEK1 (0.43) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL4530425 0.93 CHEK1 (0.43) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL6751134 0.92 AURKA (0.41) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL4519942 0.92 KDM4E (0.49) AURKAEGFRKMT2ARAD52CHEK1
Hydrochloric Acid SCHEMBL4530243 0.91 AURKA (0.41) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL4530297 0.88 AURKA (0.47) AURKAEGFRCHEK1MERTK
SCHEMBL4536098 0.85 KDM4E (0.50) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL4534089 0.84 CHEK1 (0.44) AURKAEGFRKMT2ARAD52CHEK1
SCHEMBL4531353 0.81 AURKA (0.45) AURKAEGFRCHEK1TNK2MERTK
SCHEMBL6749031 0.80 AURKA (0.54) AURKAEGFRKMT2ACHEK1MEN1

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-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-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
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT AURKA 2909/4885EGFR 4423/4885KMT2A 3401/4885

“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.