SCHEMBL4537817

SCHEMBL4537817

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)CNCc4ccccc4)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
UBE2N P61088 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDR P35968 5/20 0.49
TEK Q02763 4/20 0.49
TNK2 Q07912 2/20 0.49
CHEK1 O14757 1/20 0.48
CDK1 P06493 1/20 0.48
HIF1A Q16665 2/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
AURKA O14965 4/20 0.47
EGFR P00533 3/20 0.47
JAK2 O60674 1/20 0.47
LCK P06239 1/20 0.47
SRC P12931 1/20 0.47
ZAP70 P43403 1/20 0.47

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
SCHEMBL4531151 0.89 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535596 0.85 KDM4E (0.62) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749027 0.85 KDM4E (0.62) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4531263 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4525551 0.83 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4696958 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14021589 0.81 AURKA (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749778 0.81 AURKA (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535658 0.80 KDM4E (0.63) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530269 0.80 KDM4E (0.63) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.