SCHEMBL4576907

SCHEMBL4576907

NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.60
EGFR P00533 19/20 0.60
AURKA O14965 1/20 0.59
ERBB2 P04626 1/20 0.59
INSR P06213 1/20 0.59
PDGFRB P09619 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
CLK1 P49759 1/20 0.59
EPHB4 P54760 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59

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
SCHEMBL26082 0.94 EGFR (0.61) FBP1EGFRAURKAERBB2INSR
SCHEMBL15928220 0.93 EGFR (0.61) FBP1EGFRAURKAERBB2INSR
SCHEMBL19293607 0.93 FBP1 (0.66) FBP1EGFRAURKAERBB2INSR
SCHEMBL15928079 0.93 FBP1 (0.60) FBP1EGFRAURKAERBB2INSR
SCHEMBL6987785 0.92 EGFR (0.70) FBP1EGFRAURKAERBB2INSR
SCHEMBL3575576 0.91 EGFR (0.64) FBP1EGFRAURKAERBB2INSR
SCHEMBL642350 0.91 EGFR (0.64) FBP1EGFRAURKAERBB2INSR
SCHEMBL6995758 0.90 EGFR (0.63) EGFRERBB2KDR
SCHEMBL17538495 0.90 EGFR (0.63) FBP1EGFRAURKAERBB2INSR
SCHEMBL16212087 0.90 FBP1 (0.76) FBP1EGFRAURKAERBB2INSR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 WO disclosed
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 (3 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-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR FBP1 2501/4885EGFR 3/4885AURKA 1244/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK FBP1 3705/4885EGFR 955/4885AURKA 280/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR FBP1 2501/4885EGFR 3/4885AURKA 1244/4885

“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.