SCHEMBL5564929

SCHEMBL5564929

CC(C)(C)OC(=O)N1CCC(Oc2ccc3ncnc(Cl)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
GPR119 Q8TDV5 9/20 0.51
CHEK2 O96017 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
ERBB2 P04626 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL14489819 0.89 EGFR (0.49) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL14489815 0.87 GPR119 (0.47) GPR119ERBB2
SCHEMBL17729239 0.86 GPR119 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL31377576 0.85 GPR119 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30640003 0.85 GPR119 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL28983490 0.84 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL1527983 0.83 EGFR (0.47) GPR119ERBB2
SCHEMBL28983518 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL633987 0.83 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
Hydrochloric Acid SCHEMBL4967454 0.82 EGFR (0.46) GPR119ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803326-B EGFR inhibitor, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-03-26 CN disclosed
CN-115803326-A EGFR inhibitor, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-03-14 CN disclosed
WO-2022105908-A1 EGFR INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-05-27 WO disclosed
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 PIK3CD 294/4885PIK3CA 284/4885PIK3CB 309/4885

“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.