SCHEMBL5569332

SCHEMBL5569332

O=C(O)N1CCC[C@H](Oc2ccc3ncnc(Cl)c3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
PIK3CD O00329 6/20 0.46
CHEK2 O96017 2/20 0.40
PIK3CA P42336 5/20 0.40
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
MTNR1B P49286 1/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP4F2 P78329 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ROCK1 Q13464 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL5569914 0.93 EGFR (0.53) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4966168 0.80 ROCK1 (0.52) CHEK2CYP4A11CYP4F2HCRTR1HCRTR2
SCHEMBL4091279 0.80 EGFR (0.52) EGFRPDE3BPDE3APDE10A
SCHEMBL14489819 0.78 EGFR (0.49) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1527983 0.77 EGFR (0.47) EGFRMTNR1B
SCHEMBL14489815 0.77 GPR119 (0.47) EGFR
Hydrochloric Acid SCHEMBL4967454 0.77 EGFR (0.46) EGFRMTNR1B
SCHEMBL23379064 0.76 EGFR (0.41) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5564929 0.76 PIK3CD (0.51) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL5568756 0.76 ERBB2 (0.47) EGFRPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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 (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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK EGFR 15/4885PIK3CD 294/4885CHEK2 106/4885

“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.