SCHEMBL5261876

SCHEMBL5261876

COc1ccc(-c2c(-c3ccc([S+](C)[O-])cc3)nc3nc(C)ccn23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 2/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 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
SCHEMBL5263130 0.86 AKT1 (0.43) ALDH1A1KDM4EMAPK1MAPK14AKT1
SCHEMBL5261869 0.85 AKT1 (0.39) ALDH1A1KDM4EMAPK1MAPK14AKT1
SCHEMBL5261444 0.84 MAPK14 (0.42) MAPK14AKT1AKT2MAPK13MAPK12
SCHEMBL5262641 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1MAPK14AKT1
SCHEMBL5261530 0.83 AKT1 (0.47) ALDH1A1KDM4EMAPK14AKT1AKT2
SCHEMBL5264263 0.82 MAPK14 (0.50) MAPK14AKT1AKT2PTGS1PTGS2
SCHEMBL5263424 0.82 AKT1 (0.40) ALDH1A1KDM4EMAPK1MAPK14AKT1
SCHEMBL5260415 0.82 MAPK14 (0.41) ALDH1A1KDM4EMAPK14AKT1AKT2
SCHEMBL5263853 0.81 AKT1 (0.48) MAPK14AKT1AKT2L3MBTL1MAPK13
SCHEMBL5265058 0.80 AKT1 (0.49) KDM4EMAPK14AKT1AKT2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD ALDH1A1 8/4885KDM4E 3211/4885MAPK1 1143/4885

“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.