SCHEMBL4579486

SCHEMBL4579486

O=[N+]([O-])c1cc2c(Nc3ccc(Br)c(F)c3)ncnc2cc1F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.56
FBP1 P09467 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALK Q9UM73 1/20 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
SCHEMBL5097627 0.90 EGFR (0.61) EGFRFBP1ABCG2
SCHEMBL28413582 0.86 EGFR (0.59) EGFRFBP1ABCG2HDAC6
SCHEMBL1418279 0.85 EGFR (0.77) EGFRFBP1
SCHEMBL5103555 0.85 FBP1 (0.58) EGFRFBP1ABCG2
SCHEMBL29615011 0.84 EGFR (0.63) EGFRFBP1
SCHEMBL25241 0.84 EGFR (0.63) EGFRFBP1
SCHEMBL30237488 0.84 EGFR (0.63) EGFRFBP1
SCHEMBL26321 0.83 EGFR (0.64) EGFRFBP1ABCG2
Hydrochloric Acid SCHEMBL4780920 0.83 EGFR (0.62) EGFRFBP1
SCHEMBL4579881 0.83 EGFR (0.50) EGFRFBP1ABCG2

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 EGFR 955/4885FBP1 3705/4885ABCG2 175/4885

“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.