SCHEMBL4578621

SCHEMBL4578621

O=[N+]([O-])c1cc2c(Nc3cc(F)c(Br)cc3F)ncnc2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
KDR P35968 4/20 0.44
RET P07949 2/20 0.43
KIF5B P33176 2/20 0.43
FBP1 P09467 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TNF P01375 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL4580341 0.90 EGFR (0.52) EGFRABCG2KDRERBB2EPHA2
SCHEMBL4577295 0.86 EGFR (0.60) EGFRABCG2KDRRETKIF5B
SCHEMBL3239502 0.85 EGFR (0.59) EGFRABCG2KDRERBB2EPHA2
SCHEMBL4577412 0.85 KDR (0.59) EGFRABCG2KDRRETKIF5B
SCHEMBL5097232 0.85 KDR (0.51) EGFRABCG2KDRRETKIF5B
SCHEMBL4579881 0.84 EGFR (0.50) EGFRABCG2KDRRETKIF5B
SCHEMBL19124251 0.83 EGFR (0.60) EGFRABCG2KDRRETKIF5B
SCHEMBL4579486 0.83 EGFR (0.56) EGFRABCG2FBP1
Hydrochloric Acid SCHEMBL20637515 0.82 EGFR (0.59) EGFRABCG2KDRRETKIF5B
SCHEMBL4578873 0.81 EGFR (0.50) EGFRKDRERBB2EPHA2EPHB4

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 EGFR 955/4885ABCG2 175/4885KDR 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.