SCHEMBL5464002

SCHEMBL5464002

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL12640379 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAA
SCHEMBL18327519 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HTTMAPTRAB9A
SCHEMBL12640327 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HTTNPSR1MAPT
SCHEMBL13887606 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HTTMAPTRAB9A
SCHEMBL13629917 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL22954715 0.82 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HTTNPSR1MAPT
SCHEMBL2718426 0.82 GNAI3 (0.41) SMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL13527664 0.82 NPSR1 (0.46) SMN1; SMN2ALDH1A1HTTNPSR1GAA
SCHEMBL13165521 0.82 NPSR1 (0.46) SMN1; SMN2ALDH1A1HTTNPSR1GAA
SCHEMBL8060957 0.82 NPSR1 (0.46) SMN1; SMN2ALDH1A1HTTNPSR1GAA

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-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040109-A2 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 4731/4885ALDH1A1 3334/4885HTT 3456/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SMN1; SMN2 4856/4885ALDH1A1 4094/4885HTT 3322/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SMN1; SMN2 4731/4885ALDH1A1 3334/4885HTT 3456/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SMN1; SMN2 4856/4885ALDH1A1 4094/4885HTT 3322/4885

“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.