SCHEMBL4592045

SCHEMBL4592045

CCC(N)COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.56
KDR P35968 16/20 0.56
EGFR P00533 16/20 0.56
RET P07949 1/20 0.56
KIF5B P33176 1/20 0.56
ABCG2 Q9UNQ0 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
SCHEMBL4578370 0.91 EGFR (0.57) FBP1KDREGFRRETKIF5B
SCHEMBL4577974 0.91 EGFR (0.57) FBP1KDREGFRRETKIF5B
SCHEMBL4577968 0.91 EGFR (0.57) FBP1KDREGFRRETKIF5B
SCHEMBL4592270 0.90 EGFR (0.56) FBP1KDREGFRRETKIF5B
SCHEMBL4577657 0.86 KDR (0.62) FBP1KDREGFRRETKIF5B
SCHEMBL4577755 0.86 EGFR (0.71) FBP1KDREGFRRETKIF5B
SCHEMBL4579295 0.86 KDR (0.64) FBP1KDREGFRRETKIF5B
SCHEMBL4578498 0.85 KDR (0.58) FBP1KDREGFRRETKIF5B
SCHEMBL4577084 0.85 EGFR (0.62) FBP1KDREGFRRETKIF5B
SCHEMBL4578901 0.85 EGFR (0.62) FBP1KDREGFRRETKIF5B

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 FBP1 3705/4885KDR 1226/4885EGFR 955/4885

“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.