SCHEMBL5482515

SCHEMBL5482515

COC(=O)CN1CCC([O])CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2663389 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1965586 0.86 SMN1; SMN2 (0.45) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1
SCHEMBL23291308 0.86 SMN1; SMN2 (0.45) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1
SCHEMBL12379861 0.84 TSHR (0.46) SMN1; SMN2ALDH1A1TSHRTDP1KDM4E
SCHEMBL1133592 0.84
SCHEMBL70778 0.84 TSHR (0.46) SMN1; SMN2ALDH1A1TSHRTDP1KDM4E
SCHEMBL6740019 0.84 SMN1; SMN2 (0.44) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1
SCHEMBL7575787 0.84 SMN1; SMN2 (0.47) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1
SCHEMBL23833238 0.84 SMN1; SMN2 (0.44) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1
SCHEMBL1968157 0.84 SMN1; SMN2 (0.44) SMN1; SMN2WNT1GSK3BDYRK1AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US claimed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP claimed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO 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 (4 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SMN1; SMN2 4731/4885WNT1 2360/4885GSK3B 573/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SMN1; SMN2 4856/4885WNT1 2993/4885GSK3B 457/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SMN1; SMN2 4731/4885WNT1 2360/4885GSK3B 573/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SMN1; SMN2 4856/4885WNT1 2993/4885GSK3B 457/4885

“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.