SCHEMBL2249176

SCHEMBL2249176

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

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.79
EGFR P00533 14/20 0.79
LCK P06239 1/20 0.79
AURKA O14965 1/20 0.63
RPS6KB1 P23443 1/20 0.63
ERBB3 P21860 1/20 0.57
ERBB4 Q15303 1/20 0.57
KCNH2 Q12809 2/20 0.55

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 0.91 ERBB2 (0.79) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2250642 0.87 ERBB2 (0.63) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2253000 0.87 EGFR (0.73) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2253167 0.87 EGFR (0.70) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2250726 0.86 EGFR (0.70) ERBB2EGFRLCKERBB4
SCHEMBL2254116 0.86 ERBB2 (0.71) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2255375 0.85 EGFR (0.70) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL2322666 0.85 ERBB2 (0.77) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL28768471 0.85 ERBB2 (0.77) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL5190835 0.85 ERBB2 (0.77) ERBB2EGFRLCKAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101094840-B Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same HANMI PHARM IND CO LTD 2012-10-31 CN 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
CN-101094840-A Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same HANMI PHARM IND CO LTD (KR) 2007-12-26 CN 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 ERBB2 1693/4885EGFR 1400/4885LCK 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.