SCHEMBL5469445

SCHEMBL5469445

O=C(NC1CCN(CC2CC2)CC1)c1cc2c(Nc3ccc(F)c(F)c3)ncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 14/20 0.48
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
PDE7A Q13946 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL5469673 0.93 EGFR (0.57) EGFR
SCHEMBL5465042 0.91 MEN1 (0.50) MEN1KMT2AEGFRABL1BCR
SCHEMBL5463621 0.90 EGFR (0.56) EGFR
SCHEMBL5456071 0.88 MEN1 (0.49) MEN1KMT2AEGFRABL1BCR
SCHEMBL5465063 0.88 ABL1 (0.51) EGFRABL1BCR
SCHEMBL5464195 0.88 MEN1 (0.52) MEN1KMT2AEGFR
SCHEMBL5465274 0.88 EGFR (0.55) EGFR
SCHEMBL5461135 0.85 EGFR (0.54) EGFR
SCHEMBL5461150 0.84 MKNK1 (0.44) MEN1KMT2AEGFRABL1BCR
SCHEMBL5330700 0.84 EGFR (0.45) MEN1KMT2AEGFRABL1BCR

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 4292/4885EGFR 4385/4885

“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.