SCHEMBL4579634

SCHEMBL4579634

NCCOc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
KDR P35968 12/20 0.54
HDAC3 O15379 7/20 0.54
HDAC4 P56524 7/20 0.54
HDAC1 Q13547 7/20 0.54
HDAC7 Q8WUI4 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC10 Q969S8 7/20 0.54
HDAC11 Q96DB2 7/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HDAC9 Q9UKV0 7/20 0.54
HDAC5 Q9UQL6 7/20 0.54
FLT1 P17948 3/20 0.51
FBP1 P09467 1/20 0.50
EGFR P00533 6/20 0.49
FGFR1 P11362 2/20 0.48
FLT4 P35916 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
EPHB2 P29323 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
SCHEMBL5091094 0.91 KDR (0.62) KDRFLT1EGFRFGFR1FLT4
SCHEMBL4579621 0.89 FBP1 (0.50) SRCKDRFBP1EGFRABCG2
SCHEMBL4578059 0.89 KDR (0.50) SRCKDRHDAC3HDAC4HDAC1
SCHEMBL4580086 0.86 KDR (0.58) SRCKDRHDAC3HDAC4HDAC1
SCHEMBL4576907 0.86 FBP1 (0.60) KDRFBP1EGFRFLT4
SCHEMBL4580113 0.86 KDR (0.69) SRCKDRHDAC3HDAC4HDAC1
SCHEMBL4578020 0.85 EGFR (0.50) KDRFLT1FBP1EGFRFGFR1
SCHEMBL4578322 0.85 EGFR (0.62) SRCKDRFBP1EGFRABCG2
SCHEMBL4576844 0.84 EGFR (0.52) FBP1EGFRABCG2
SCHEMBL4578447 0.84 EGFR (0.55) SRCKDRFLT1FBP1EGFR

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 SRC 82/4885KDR 1226/4885HDAC3 2303/4885

“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.