SCHEMBL4577834

SCHEMBL4577834

O=[N+]([O-])c1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
EGFR P00533 8/20 0.53
KDR P35968 8/20 0.51
FLT1 P17948 5/20 0.51
FGFR1 P11362 3/20 0.51
FLT4 P35916 2/20 0.51
EPHB2 P29323 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46

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
SCHEMBL5097637 0.92 KDR (0.60) SRCEGFRKDRFLT1FGFR1
SCHEMBL22983424 0.91 KDR (0.50) SRCEGFRKDRFLT1FGFR1
SCHEMBL31472883 0.91 KDR (0.50) SRCEGFRKDRFLT1FGFR1
SCHEMBL4578463 0.90 EGFR (0.62) SRCEGFRKDRABCG2
SCHEMBL4578880 0.87 EGFR (0.53) SRCEGFRKDRABCG2
SCHEMBL4579884 0.87 KDR (0.50) SRCEGFRKDRFLT1FGFR1
SCHEMBL157980 0.87 EGFR (0.50) EGFRKDRFLT1FGFR1FLT4
SCHEMBL29719187 0.87 EGFR (0.50) EGFRKDRFLT1FGFR1FLT4
SCHEMBL29718914 0.86 EGFR (0.60) SRCEGFRKDRFLT1EPHB2
SCHEMBL16212495 0.86 EGFR (0.60) SRCEGFRKDRFLT1EPHB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
CN-101304978-B Quinazoline derivative as multi-component inhibitor, pharmaceutical composition and application HANMI PHARM IND CO LTD 2012-12-26 CN disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
CN-101304978-A Quinazoline derivatives as multiplex inhibitors and process for their preparation HANMI PHARM IND CO LTD (KR) 2008-11-12 CN disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 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-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK SRC 82/4885EGFR 955/4885KDR 1226/4885

“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.