SCHEMBL2180610

SCHEMBL2180610

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3B P49841 3/20 0.38
TEK Q02763 7/20 0.38
KDR P35968 5/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
UBE2N P61088 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
LTB4R Q15722 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
FAAH O00519 1/20 0.35
AURKA O14965 1/20 0.34
PDE4B Q07343 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
SCHEMBL12409608 0.89 MEN1 (0.36) MEN1KMT2AGSK3BTEKKDR
SCHEMBL2181263 0.89 MEN1 (0.36) MEN1KMT2AGSK3BTEKKDR
SCHEMBL3159267 0.88 TEK (0.41) MEN1KMT2AGSK3BTEKKDR
SCHEMBL6750708 0.88 KDM4E (0.54) MEN1KMT2AGSK3BTEKKDR
SCHEMBL6750702 0.88 KDM4E (0.54) MEN1KMT2AGSK3BTEKKDR
SCHEMBL4530234 0.88 KDM4E (0.54) MEN1KMT2AGSK3BTEKKDR
SCHEMBL4519959 0.87 KDM4E (0.53) MEN1KMT2AGSK3BTEKKDR
SCHEMBL4519965 0.87 KDM4E (0.53) MEN1KMT2AGSK3BTEKKDR
SCHEMBL2181267 0.86 MEN1 (0.36) MEN1KMT2AGSK3BTEKKDR
SCHEMBL12409660 0.85 KDR (0.40) MEN1KMT2AGSK3BTEKKDR

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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP MEN1 2508/4885KMT2A 1997/4885GSK3B 2588/4885

“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.