SCHEMBL6001444

SCHEMBL6001444

O=C1Nc2ccccc2C1=Cc1n[nH]cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
TLK2 Q86UE8 3/20 0.50
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
KDR P35968 2/20 0.49
ALK Q9UM73 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
AURKB Q96GD4 1/20 0.49
MAPT P10636 2/20 0.49
PTK2B Q14289 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49

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
SCHEMBL6001442 1.00 GSK3B (0.51) GSK3BTLK2CDK5CDK5R1KDR
SCHEMBL7423019 0.83 ALK (0.49) GSK3BTLK2CDK5CDK5R1KDR
SCHEMBL7423015 0.76 KDR (0.60) GSK3BTLK2KDRALKAURKB
SCHEMBL3801525 0.75 CDK7 (0.62) TLK2CDK5CDK5R1KDRALK
SCHEMBL5470660 0.75 CDK7 (0.62) TLK2CDK5CDK5R1KDRALK
SCHEMBL5481832 0.75 NPC1 (0.68) GSK3BTLK2CDK5KDRALK
SCHEMBL5481833 0.75 NPC1 (0.68) GSK3BTLK2CDK5KDRALK
SCHEMBL5470655 0.75 CDK7 (0.62) TLK2CDK5CDK5R1KDRALK
SCHEMBL5999807 0.75 GSK3B (0.58) GSK3BTLK2CDK5CDK5R1KDR
SCHEMBL5999800 0.75 GSK3B (0.58) GSK3BTLK2CDK5CDK5R1KDR

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 GSK3B 247/4885TLK2 942/4885CDK5 22/4885
US-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 GSK3B 247/4885TLK2 942/4885CDK5 22/4885
US-20020102608-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease PTPRJ, ERBB2, JAK2 GSK3B 76/4885TLK2 618/4885CDK5 6/4885
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 GSK3B 957/4885TLK2 2726/4885CDK5 105/4885
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 GSK3B 972/4885TLK2 3163/4885CDK5 180/4885

“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.