Sugi Predict

Sugi Predict / Compounds / SCHEMBL4521058

SCHEMBL4521058

SCHEMBL4521058

COc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H](C)CN(C)CCCC(=O)OC(C)(C)C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ TEK Q02763 10/20 0.37
▸ KDR P35968 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ THRB P10828 3/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ TNK2 Q07912 1/20 0.32

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
SCHEMBL4540047 0.91 KDM4E (0.40) MEN1KMT2APOLBRAD52TEK
SCHEMBL4531369 0.89 TEK (0.39) MEN1KMT2APOLBRAD52TEK
SCHEMBL4519942 0.83 KDM4E (0.49) MEN1KMT2APOLBRAD52TEK
SCHEMBL6751134 0.82 AURKA (0.41) MEN1KMT2ARAD52CHEK1AURKA
SCHEMBL4536098 0.82 KDM4E (0.50) MEN1KMT2APOLBRAD52TEK
Hydrochloric Acid SCHEMBL4530243 0.82 AURKA (0.41) MEN1KMT2ARAD52CHEK1AURKA
SCHEMBL4537720 0.81 AURKA (0.34) TEKKDRCHEK1AURKAMERTK
SCHEMBL4530370 0.81 AURKA (0.34) TEKKDRCHEK1AURKAMERTK
SCHEMBL12409708 0.80 TEK (0.39) MEN1KMT2APOLBRAD52TEK
SCHEMBL6750681 0.80 KDM4E (0.49) MEN1KMT2APOLBRAD52TEK

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-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 MEN1 2837/4885KMT2A 3401/4885POLB 562/4885

“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.