Sugi Predict

Sugi Predict / Compounds / SCHEMBL4531369

SCHEMBL4531369

SCHEMBL4531369

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 10/20 0.39
▸ KDR P35968 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ FLT1 P17948 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ THRB P10828 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ MERTK Q12866 1/20 0.34
▸ TNK2 Q07912 1/20 0.34

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
SCHEMBL4530370 0.91 AURKA (0.34) TEKKDRCHEK1AURKAMERTK
SCHEMBL4537720 0.91 AURKA (0.34) TEKKDRCHEK1AURKAMERTK
SCHEMBL12409708 0.91 TEK (0.39) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL6750654 0.90 KDM4E (0.49) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL6750681 0.90 KDM4E (0.49) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL4533391 0.90 KDM4E (0.43) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL4527244 0.90 KDM4E (0.49) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL4521058 0.89 MEN1 (0.38) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL12409632 0.87 TEK (0.39) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL14021463 0.87 MEN1 (0.39) TEKKDRKDM4EALDH1A1HPGD

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
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 — — EP 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-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

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 TEK 361/4885KDR 721/4885KDM4E 3800/4885

“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.