SCHEMBL2249096

SCHEMBL2249096

CS(=O)(=O)CC(=O)NCCCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.70
ERBB2 P04626 16/20 0.70
ERBB4 Q15303 2/20 0.65
ABL1 P00519 2/20 0.61
INSR P06213 2/20 0.61
PDGFRB P09619 2/20 0.61
CDK2 P24941 2/20 0.61
PLK1 P53350 1/20 0.61
MEN1 O00255 1/20 0.59
PIK3C2B O00750 1/20 0.59
MAP2K7 O14733 1/20 0.59
RIPK2 O43353 1/20 0.59
PIK3C2G O75747 1/20 0.59
STK10 O94804 1/20 0.59
ABCB11 O95342 1/20 0.59
RET P07949 1/20 0.59
CYP3A4 P08684 1/20 0.59
SRC P12931 1/20 0.59
CYP3A5 P20815 1/20 0.59
ERBB3 P21860 1/20 0.59

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
SCHEMBL2250352 0.96 EGFR (0.72) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2252051 0.92 ERBB2 (0.74) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2251630 0.91 ERBB2 (0.73) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2254686 0.91 ERBB2 (0.72) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2250568 0.90 EGFR (0.72) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2254897 0.90 ERBB2 (0.73) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2251474 0.90 EGFR (0.71) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL2250503 0.90 EGFR (0.71) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2250917 0.88 EGFR (0.69) EGFRERBB2ERBB4ABL1INSR
SCHEMBL2251119 0.88 ERBB2 (0.69) EGFRERBB2ERBB4ABL1INSR

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 12 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
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 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
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 EGFR 1400/4885ERBB2 1693/4885ERBB4 2142/4885

“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.