SCHEMBL4580086

SCHEMBL4580086

O=C(O)NCCOc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.58
EGFR P00533 8/20 0.58
HDAC3 O15379 8/20 0.54
HDAC4 P56524 8/20 0.54
HDAC1 Q13547 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC2 Q92769 8/20 0.54
HDAC10 Q969S8 8/20 0.54
HDAC11 Q96DB2 8/20 0.54
HDAC8 Q9BY41 8/20 0.54
HDAC6 Q9UBN7 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
HDAC5 Q9UQL6 8/20 0.54
SRC P12931 1/20 0.52
FBP1 P09467 1/20 0.47
FLT1 P17948 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL4580113 0.92 KDR (0.69) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4577772 0.92 EGFR (0.59) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4580446 0.91 KDR (0.59) KDREGFRFLT1
SCHEMBL4578473 0.90 KDR (0.56) KDREGFRSRCFBP1ABCG2
SCHEMBL4577936 0.90 KDR (0.51) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4579634 0.86 SRC (0.57) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4579165 0.86 KDR (0.60) KDREGFRSRCABCG2
SCHEMBL4578314 0.86 EGFR (0.58) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL4578816 0.86 KDR (0.58) KDREGFR
SCHEMBL4578311 0.86 EGFR (0.58) KDREGFRFLT1

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 5 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
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
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 KDR 1226/4885EGFR 955/4885HDAC3 2303/4885

“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.