SCHEMBL5465799

SCHEMBL5465799

[CH2]C(CCN1CCOCC1)C1CNCCS1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5465717 0.74 KDR (0.35) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27297870 0.70 KDR (0.36) ALDH1A1
SCHEMBL5465794 0.69 KDR (0.35) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5465714 0.68
SCHEMBL17393052 0.64 ALDH1A1 (0.43) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5459528 0.64 DPP4 (0.31) ALDH1A1
SCHEMBL11392636 0.64 TSHR (0.35) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15515230 0.63 KEAP1 (0.42) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10916903 0.63 KDM4E (0.55) KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL416345 0.63 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2KDM4EALDH1A1

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-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR KEAP1 1006/4885SMN1; SMN2 4581/4885KDM4E 2957/4885

“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.