SCHEMBL6000879

SCHEMBL6000879

O=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 1.00
JAK3 P52333 4/20 1.00
PDPK1 O15530 10/20 0.65
RET P07949 5/20 0.65
KDR P35968 4/20 0.65
FLT3 P36888 3/20 0.65
ALK Q9UM73 2/20 0.65
FLT1 P17948 2/20 0.65
PDGFRA P16234 1/20 0.65
GSK3B P49841 3/20 0.62
TLK2 Q86UE8 4/20 0.61
SYK P43405 1/20 0.61
ATM Q13315 1/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DAPK3 O43293 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
NTRK1 P04629 1/20 0.61
LCK P06239 1/20 0.61

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
SCHEMBL6000878 1.00 PDGFRB (1.00) PDGFRBJAK3PDPK1RETKDR
SCHEMBL7808772 0.90 PDGFRB (0.82) PDGFRBJAK3PDPK1RETKDR
SCHEMBL7808770 0.90 PDGFRB (0.82) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6957606 0.88 PDGFRB (0.78) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6957596 0.88 PDGFRB (0.78) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6964296 0.86 PDGFRB (0.74) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6964291 0.86 PDGFRB (0.74) PDGFRBJAK3PDPK1RETKDR
SCHEMBL31219496 0.81 GSK3B (0.74) PDGFRBJAK3RETGSK3BLRRK2
SCHEMBL3757258 0.81 GSK3B (0.74) PDGFRBJAK3RETGSK3BLRRK2
SCHEMBL3757263 0.81 GSK3B (0.74) PDGFRBJAK3RETGSK3BLRRK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252766-A1 Methods using a combination of 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PFIZER INC 2006-11-09 US disclosed
US-6906093-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2005-06-14 US disclosed
EP-1509224-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-03-02 EP disclosed
US-6846839-B1 Methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis SUGEN, INC. (US) 2005-01-25 US disclosed
WO-2003097044-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2003-11-27 WO disclosed
US-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease SUGEN, INC. 2003-09-18 US disclosed
US-20030119895-A1 Methods using a combination of a 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PHARMACIA CORPORATION 2003-06-26 US disclosed
US-6469032-B2 MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION; ANTICARCINOGENIC, -DIABETIC, -PROLIFERATIVE AND -INFLAMMATORY AGENTS; VASCULAR SYSTEM DISORDERS SUGEN, INC. 2002-10-22 US disclosed
US-20020102608-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2002-08-01 US disclosed
US-20010027207-A1 3-(4'-bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease TANG PENG CHO (US) 2001-10-04 US disclosed
US-6225335-B1 MODULATES TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION; FOR THERAPY OF CANCER, ATHEROSCLEROSIS, ARTHRITIS AND RESTENOSIS AND METABOLIC DISEASES SUCH AS DIABETES SUGEN, INC. 2001-05-01 US disclosed
EP-0934931-A2 3-Benzylidene-2-indolinones and their analogues as tyrosine kinase activity modulators Sugen, Inc. (US) 1999-08-11 EP disclosed
US-5886020-A MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE OR INHIBIT ABNORMAL CELL PROLIFERATION SUGEN, INC. (US) 1999-03-23 US disclosed
US-5883113-A TYROSINE KINASE INHIBITORS; ANTIPROLIFERATIVE AND ANTICARCINOGENIC AGENTS; DIABETES, ARTHRITIS, RESTENOSIS, ATHEROSCLEROSIS SUGEN, INC. (US) 1999-03-16 US disclosed
US-5883116-A ANTITUMOR AGENTS AND ENZYME INHIBITORS SUGEN, INC. (US) 1999-03-16 US disclosed
US-5834504-A MODULATING, INHIBITING ABNORMAL CELL PROLIFERATION; ENZYME INHIBITION SUGEN, INC. (US) 1998-11-10 US disclosed
EP-0769947-A4 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 1998-09-30 EP disclosed
US-5792783-A CAPABLE OF MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION SUGEN, INC. (US) 1998-08-11 US disclosed
EP-0769947-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE Sugen, Inc. (US) 1997-05-02 EP disclosed
WO-1996040116-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN, INC. (US) 1996-12-19 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 (5 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-20010027207-A1 3-(4'-bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 PDGFRB 325/4885JAK3 97/4885PDPK1 69/4885
US-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 PDGFRB 325/4885JAK3 97/4885PDPK1 69/4885
US-20020102608-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease PTPRJ, ERBB2, JAK2 PDGFRB 285/4885JAK3 51/4885PDPK1 67/4885
US-20030119895-A1 Methods using a combination of a 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PTGS2, PTGES2, PTGS1 PDGFRB 1819/4885JAK3 1496/4885PDPK1 1392/4885
US-20060252766-A1 Methods using a combination of 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PTGS2, PTGES2, PTGES3 PDGFRB 2095/4885JAK3 1518/4885PDPK1 2037/4885

“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.