SCHEMBL4577295

SCHEMBL4577295

O=[N+]([O-])c1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.60
KDR P35968 8/20 0.60
RET P07949 1/20 0.60
KIF5B P33176 1/20 0.60
FBP1 P09467 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TNF P01375 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NOD2 Q9HC29 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOD1 Q9Y239 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL4578463 0.90 EGFR (0.62) EGFRKDRRETKIF5BFBP1
SCHEMBL4577412 0.89 KDR (0.59) EGFRKDRRETKIF5BTDP1
SCHEMBL5097637 0.87 KDR (0.60) EGFRKDRABCG2
SCHEMBL4579881 0.86 EGFR (0.50) EGFRKDRRETKIF5BFBP1
SCHEMBL4578621 0.86 EGFR (0.47) EGFRKDRRETKIF5BFBP1
SCHEMBL30820491 0.86 EGFR (0.63) EGFRKDRRETKIF5BFBP1
SCHEMBL4579035 0.86 EGFR (0.51) EGFRKDRRETKIF5BFBP1
SCHEMBL4579543 0.85 EGFR (0.56) EGFRKDRRETKIF5BFBP1
SCHEMBL4578156 0.85 ABCG2 (0.49) EGFRKDRRETKIF5BABCG2
SCHEMBL4579295 0.85 KDR (0.64) EGFRKDRRETKIF5BFBP1

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 10 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
CN-102731485-A 4-(substituted phenylamino)quinazoline derivative, its preparation method, pharmaceutical composition and application QILU PHARMACEUTICAL CO LTD 2012-10-17 CN disclosed
WO-2012136099-A1 4-(SUBSTITUTED PHENYLAMINO)QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 齐鲁制药有限公司 (CN) 2012-10-11 WO 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-2007055513-A1 QUINAZOLINE DERIVATIVES AS A SIGNAL TRANSDUCTION INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO 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 955/4885KDR 1226/4885RET 302/4885

“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.