SCHEMBL4865577

SCHEMBL4865577

COc1cc2ncnc(Nc3ccc(OCCF)c(Cl)c3)c2cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
KDR P35968 3/20 0.60
EPHB4 P54760 2/20 0.60
ERBB2 P04626 2/20 0.60
CLK1 P49759 2/20 0.60
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
FBP1 P09467 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60
GAK O14976 1/20 0.59
EPHA2 P29317 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56

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
SCHEMBL4865140 0.86 EGFR (0.60) EGFRERBB2AURKAGAK
SCHEMBL24377 0.86 EGFR (0.66) EGFRKDREPHB4ERBB2CLK1
SCHEMBL9910688 0.85 EGFR (0.69) EGFRKDREPHB4ERBB2GAK
SCHEMBL26876 0.84 EGFR (0.83) EGFRKDREPHB4ERBB2CLK1
SCHEMBL29362232 0.84 EGFR (0.83) EGFRKDREPHB4ERBB2CLK1
SCHEMBL2255348 0.83 EGFR (0.69) EGFRKDREPHB4ERBB2AURKA
Hydrochloric Acid SCHEMBL28101874 0.83 EGFR (0.81) EGFRKDREPHB4ERBB2CLK1
Water SCHEMBL28549003 0.83 EGFR (0.81) EGFRKDREPHB4ERBB2CLK1
SCHEMBL9910672 0.83 EGFR (0.86) EGFRKDREPHB4ERBB2GAK
SCHEMBL9910674 0.83 EGFR (0.71) EGFRKDREPHB4ERBB2CLK1

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 11 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
WO-2006071079-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
WO-2006071079-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 1400/4885KDR 2570/4885EPHB4 4554/4885

“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.