SCHEMBL12409657

SCHEMBL12409657

COc1ccc(-c2c(-c3ccccn3)oc3ncnc(OC(C)CCCCC(=O)O)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
UBE2N P61088 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TEK Q02763 8/20 0.43
KDR P35968 5/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
AURKA O14965 1/20 0.40
CHEK1 O14757 1/20 0.40
CDK1 P06493 1/20 0.40
TNK2 Q07912 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
LTB4R Q15722 1/20 0.37
GSK3B P49841 1/20 0.37
EGFR P00533 1/20 0.36
HIF1A Q16665 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL2180686 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750702 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530234 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750708 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409726 0.90 PPARG (0.39) TEKKDRAURKACHEK1EGFR
SCHEMBL4519965 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519959 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409632 0.90 TEK (0.39) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409725 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4533391 0.86 KDM4E (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP KDM4E 2555/4885ALDH1A1 446/4885HPGD 259/4885

“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.