SCHEMBL5999596

SCHEMBL5999596

CSc1ccc(C=C2C(=O)Nc3ccccc32)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.67
EGFR P00533 3/20 0.64
CTRC Q99895 3/20 0.58
KDR P35968 2/20 0.58
RET P07949 1/20 0.58
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GSK3B P49841 1/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
PDGFRB P09619 3/20 0.48
LMNA P02545 2/20 0.48
APP P05067 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
SNCA P37840 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
DYRK1A Q13627 1/20 0.48
POLB P06746 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
SCHEMBL5989256 0.82 ERBB2 (0.56) ERBB2EGFRCTRCKDRRET
SCHEMBL5369419 0.82 ERBB2 (0.56) ERBB2EGFRCTRCKDRRET
SCHEMBL6000849 0.82 ERBB2 (0.56) ERBB2EGFRRETPDGFRB
SCHEMBL5989659 0.82 ERBB2 (0.56) ERBB2EGFRCTRCKDRRET
SCHEMBL5728059 0.82 EGFR (0.69) EGFRCTRCKDRRETNPC1
SCHEMBL5728062 0.82 EGFR (0.69) EGFRCTRCKDRRETNPC1
SCHEMBL6001339 0.80 EGFR (0.67) EGFRCTRCKDRRETNPC1
SCHEMBL6389496 0.80 ERBB2 (0.62) ERBB2EGFRCTRCKDRRET
SCHEMBL14448899 0.79 EGFR (0.65) EGFRCTRCKDRRETNPC1
SCHEMBL6000993 0.79 EGFR (0.65) EGFRCTRCKDRRETNPC1

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 18 patents. 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
EP-0769947-B1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 2001-05-02 EP 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
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

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 ERBB2 1/4885EGFR 31/4885CTRC 4854/4885
US-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 ERBB2 1/4885EGFR 31/4885CTRC 4854/4885
US-20020102608-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease PTPRJ, ERBB2, JAK2 ERBB2 2/4885EGFR 109/4885CTRC 4862/4885
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 ERBB2 583/4885EGFR 2469/4885CTRC 2775/4885
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 ERBB2 541/4885EGFR 2374/4885CTRC 2360/4885

“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.