SCHEMBL4867987

SCHEMBL4867987

COc1cc2ncnc(Nc3ccc(OCc4cccc(C)n4)c(Cl)c3)c2cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.59
GAK O14976 1/20 0.59
ERBB2 P04626 9/20 0.56
KDR P35968 11/20 0.55
EPHA2 P29317 9/20 0.55
EPHB4 P54760 8/20 0.55
FLT1 P17948 1/20 0.52
LCK P06239 1/20 0.52
FBP1 P09467 2/20 0.52
CLK1 P49759 2/20 0.52
RET P07949 1/20 0.52
AURKA O14965 1/20 0.52
INSR P06213 1/20 0.52
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
GMNN O75496 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
SCHEMBL2255348 0.88 EGFR (0.69) EGFRGAKERBB2KDREPHA2
SCHEMBL4866309 0.87 EGFR (0.57) EGFRGAKERBB2LCKAURKA
SCHEMBL9910688 0.84 EGFR (0.69) EGFRGAKERBB2KDREPHA2
SCHEMBL9910674 0.84 EGFR (0.71) EGFRGAKERBB2KDREPHA2
SCHEMBL9910672 0.82 EGFR (0.86) EGFRGAKERBB2KDREPHA2
SCHEMBL4865577 0.81 EGFR (0.61) EGFRGAKERBB2KDREPHA2
SCHEMBL4861063 0.81 EGFR (0.64) EGFRERBB2LCKFBP1AURKA
SCHEMBL4868109 0.81 EGFR (0.65) EGFRGAKERBB2LCKAURKA
SCHEMBL4868547 0.80 KDR (0.76) EGFRGAKERBB2KDREPHA2
SCHEMBL8305182 0.80 EGFR (0.80) EGFRGAKERBB2KDREPHA2

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 9 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 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-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 1400/4885GAK 89/4885ERBB2 1693/4885

“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.