SCHEMBL5126375

SCHEMBL5126375

COc1[c]cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)nc(C(N)=O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.55
ERBB2 P04626 12/20 0.55
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
ERBB4 Q15303 4/20 0.43
LCK P06239 1/20 0.43
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
STK4 Q13043 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL5122526 0.94 ERBB2 (0.51) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL2255343 0.92 AURKA (0.54) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4868177 0.89 ERBB2 (0.51) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4861054 0.86 ERBB2 (0.54) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4868107 0.85 AURKA (0.51) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4867983 0.83 AURKA (0.44) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4865132 0.82 AURKA (0.52) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4864883 0.82 AURKA (0.57) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL5125233 0.82 AURKA (0.51) EGFRERBB2AURKARPS6KB1ERBB4
SCHEMBL4868089 0.81 AURKA (0.52) EGFRERBB2AURKARPS6KB1ERBB4

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
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
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-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 1400/4885ERBB2 1693/4885AURKA 177/4885

“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.