SCHEMBL5263725

SCHEMBL5263725

COc1ccc(-c2nc3ncccn3c2-c2ccc(SC)c(Cl)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
GAA P10253 5/20 0.48
RAB9A P51151 3/20 0.48
GLA P06280 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.48
KLK7 P49862 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL5262720 0.92 TUBB4A (0.43) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5261629 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5262505 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5259830 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5260597 0.85 GPBAR1 (0.46) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5264177 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5266278 0.83 KDM4E (0.46) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5259265 0.83 GAA (0.56) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL5263051 0.82 MAPT (0.51) ALDH1A1KDM4EGAARAB9AGLA
SCHEMBL23407614 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EGAARAB9AGLA

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 3211/4885GAA 3107/4885

“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.