Sugi Predict

Sugi Predict / Compounds / SCHEMBL4540047

SCHEMBL4540047

SCHEMBL4540047

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TEK Q02763 8/20 0.40
▸ KDR P35968 6/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ FFAR4 Q5NUL3 3/20 0.38
▸ AURKA O14965 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ MERTK Q12866 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ TNK2 Q07912 1/20 0.35

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
SCHEMBL4536098 0.91 KDM4E (0.50) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4521058 0.91 MEN1 (0.38) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4533391 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14022553 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519942 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527236 0.82 CHEK1 (0.43) MEN1KMT2ARAD52AURKACHEK1
SCHEMBL4530425 0.82 CHEK1 (0.43) MEN1KMT2ARAD52AURKACHEK1
SCHEMBL4531667 0.79 AURKA (0.37) TEKKDRFFAR4AURKACHEK1
SCHEMBL4533516 0.79 AURKA (0.37) TEKKDRFFAR4AURKACHEK1
SCHEMBL4525220 0.79 AURKA (0.37) TEKKDRFFAR4AURKACHEK1

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 6 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

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 KDM4E 3800/4885ALDH1A1 318/4885HPGD 75/4885

“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.