SCHEMBL5264075

SCHEMBL5264075

CCOc1ccc(-c2nc3ncccn3c2-c2ccc([S+](C)[O-])cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
PIM1 P11309 2/20 0.42
GSK3B P49841 2/20 0.42
KLK7 P49862 1/20 0.42
AKT1 P31749 4/20 0.40
AKT2 P31751 3/20 0.40
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 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
SCHEMBL5261869 0.86 AKT1 (0.39) AKT1AKT2KDM4EALDH1A1PTGS2
SCHEMBL5260974 0.85 PTGS2 (0.52) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL5260161 0.84 MAPT (0.45) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL23407549 0.82 KLK7 (0.46) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL29620846 0.82 KLK7 (0.46) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL5261785 0.79 ROCK2 (0.49) ROCK2PIM1GSK3BAKT1AKT2
SCHEMBL5263009 0.78 KLK7 (0.46) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL9298139 0.78 AKT1 (0.50) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL5264198 0.77 GAA (0.59) ROCK2PIM1GSK3BKLK7AKT1
SCHEMBL6102455 0.75 AKT1 (0.49) ROCK2PIM1GSK3BAKT1AKT2

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 ROCK2 4845/4885PIM1 1850/4885GSK3B 4251/4885

“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.