SCHEMBL2253000

SCHEMBL2253000

COCC(=O)NCCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.73
ERBB2 P04626 13/20 0.73
LCK P06239 1/20 0.73
AURKA O14965 1/20 0.54
RPS6KB1 P23443 1/20 0.54
KCNH2 Q12809 1/20 0.52
ERBB3 P21860 1/20 0.51
ERBB4 Q15303 1/20 0.51

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
SCHEMBL2251397 0.90 ERBB2 (0.79) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL2254116 0.90 ERBB2 (0.71) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL2253167 0.88 EGFR (0.70) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL2249176 0.87 ERBB2 (0.79) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL2251559 0.87 ERBB2 (0.57) EGFRERBB2LCKERBB4
SCHEMBL2251577 0.85 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL2255375 0.81 EGFR (0.70) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL7235104 0.81 EGFR (0.77) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL3708572 0.81 ERBB2 (0.72) EGFRERBB2LCKAURKARPS6KB1
SCHEMBL4478533 0.81 ERBB2 (0.72) EGFRERBB2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US claimed
JP-2008525522-A 2008-07-17 JP claimed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US claimed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP claimed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP disclosed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US disclosed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 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-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 1400/4885ERBB2 1693/4885LCK 1194/4885

“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.