SCHEMBL5456071

SCHEMBL5456071

O=C(NC1CCN(CC2CC2)CC1)c1cc2c(Nc3ccccc3)ncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.44
DCLK1 O15075 1/20 0.44
PDPK1 O15530 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PIM1 P11309 1/20 0.44
AXL P30530 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL5465042 0.91 MEN1 (0.50) MEN1KMT2AEGFRABL1BCR
SCHEMBL5469220 0.89 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5330700 0.88 EGFR (0.45) MEN1KMT2AEGFRABL1BCR
SCHEMBL5469445 0.88 MEN1 (0.49) MEN1KMT2AEGFRABL1BCR
SCHEMBL5255690 0.87 MAPK1 (0.59) ALDH1A1KDM4ELMNAGAASTAT3
SCHEMBL5469673 0.86 EGFR (0.57) EGFR
SCHEMBL5461150 0.84 MKNK1 (0.44) MEN1KMT2AFLT3EGFRABL1
SCHEMBL5469662 0.84 SIGMAR1 (0.55) MEN1KMT2AALDH1A1EGFR
SCHEMBL5463621 0.83 EGFR (0.56) EGFR
SCHEMBL5465274 0.81 EGFR (0.55) EGFR

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 claimed

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 MEN1 4261/4885KMT2A 4292/4885ALDH1A1 683/4885

“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.