SCHEMBL4868089

SCHEMBL4868089

NC(=O)c1nc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c2c[c]c(OCC3CC3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
ERBB2 P04626 16/20 0.48
EGFR P00533 14/20 0.48
LCK P06239 1/20 0.48
ERBB3 P21860 1/20 0.44
ERBB4 Q15303 1/20 0.44
KCNH2 Q12809 4/20 0.43

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
SCHEMBL4861054 0.90 ERBB2 (0.54) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL4865651 0.89 AURKA (0.50) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL2255343 0.89 AURKA (0.54) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL4865132 0.88 AURKA (0.52) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL4868107 0.88 AURKA (0.51) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL5125233 0.88 AURKA (0.51) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL4864883 0.87 AURKA (0.57) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL4864442 0.86 AURKA (0.55) AURKARPS6KB1ERBB2EGFRLCK
SCHEMBL6101473 0.84 EGFR (0.56) AURKARPS6KB1ERBB2EGFRKCNH2
SCHEMBL4857286 0.84 AURKA (0.53) AURKARPS6KB1ERBB2EGFRLCK

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 AURKA 177/4885RPS6KB1 3397/4885ERBB2 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.