SCHEMBL5315286

SCHEMBL5315286

CCCSc1ccc(-c2c(-c3ccc(SC)cc3)nc3ncccn23)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
RAB9A P51151 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 2/20 0.38
PIM1 P11309 2/20 0.38
GSK3B P49841 2/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
NR1I3 Q14994 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
NPC1 O15118 2/20 0.35
KLK7 P49862 1/20 0.35
CDC7 O00311 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKACA P17612 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
SCHEMBL5264684 0.90 GAA (0.42) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5263051 0.89 MAPT (0.51) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5261650 0.88 ROCK2 (0.46) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5261344 0.88 ALDH1A1 (0.51) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5263332 0.86 AKT1 (0.38) MAPTRAB9AKDM4EAKT1AKT2
SCHEMBL5261934 0.86 ROCK2 (0.44) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5262188 0.84 MAPT (0.47) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5259265 0.81 GAA (0.56) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5261602 0.80 MAPT (0.45) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL5263568 0.80 MAPT (0.48) MAPTRAB9AGAAKDM4EALDH1A1

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 MAPT 4658/4885RAB9A 3442/4885GAA 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.