SCHEMBL5456062

SCHEMBL5456062

Nc1ncnc2sc(C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SHMT2 P34897 1/20 0.44
MAP3K8 P41279 1/20 0.41
KDR P35968 2/20 0.41
ABL1 P00519 2/20 0.41
LIMK1 P53667 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 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
SCHEMBL20399117 0.84 ABL1 (0.52) HSP90AB1ALDH1A1SHMT2KDRABL1
SCHEMBL3976703 0.79 SELE (0.50) ALDH1A1SHMT2ABL1CDK8MKNK1
SCHEMBL3978660 0.74 CAMKK2 (0.47) HSP90AB1ALDH1A1SHMT2MAP3K8LIMK1
SCHEMBL29420250 0.71 MAPK1 (0.47) KDRABL1LIMK1CHEK1AURKA
SCHEMBL6461918 0.71 EGFR (0.49) KDRABL1LIMK1CHEK1AURKA
SCHEMBL31026187 0.71 EGFR (0.49) KDRABL1LIMK1CHEK1AURKA
SCHEMBL4801961 0.70 LIMK1 (0.42) KDRABL1LIMK1CHEK1AURKA
SCHEMBL14375381 0.70 MAPK1 (0.55) ALDH1A1MAP4K4PIM1FLT3RPS6KA3
SCHEMBL27084096 0.69 KDM4E (0.41) ALDH1A1SHMT2MAP3K8AURKADAPK3
SCHEMBL16363314 0.68 ABL1 (0.60) SHMT2ABL1FGFR1MKNK1MEN1

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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 HSP90AB1 3621/4885ALDH1A1 683/4885SHMT2 1947/4885

“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.