SCHEMBL20839

SCHEMBL20839

O=C1Nc2ccccc2C1=Cc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 1.00
ALDH1A1 P00352 3/20 0.68
MAPT P10636 2/20 0.68
GSK3B P49841 2/20 0.62
POLB P06746 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
DYRK1A Q13627 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
THRB P10828 1/20 0.61
ALOX12 P18054 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
ITGA4 P13612 1/20 0.55
ITGB7 P26010 1/20 0.55
KDR P35968 1/20 0.54
SYK P43405 1/20 0.54
ATM Q13315 1/20 0.54
RET P07949 1/20 0.54

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
SCHEMBL20838 1.00 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BPOLB
SCHEMBL905690 1.00 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BPOLB
SCHEMBL31434409 0.85 RPS6KA3 (0.74) RPS6KA3ALDH1A1MAPTPOLBHTT
SCHEMBL1305323 0.82 POLB (0.80) RPS6KA3ALDH1A1GSK3BPOLBDYRK1A
SCHEMBL1305325 0.82 POLB (0.80) RPS6KA3ALDH1A1GSK3BPOLBDYRK1A
SCHEMBL5728158 0.81 RPS6KA3 (0.68) RPS6KA3ALDH1A1MAPTGSK3BPOLB
SCHEMBL18499299 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BTDP1
SCHEMBL6849771 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL14660146 0.81 RPS6KA3 (0.81) RPS6KA3ALDH1A1MAPTGSK3BPOLB
SCHEMBL29638294 0.81 RPS6KA3 (0.72) RPS6KA3ALDH1A1MAPTGSK3BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed
EP-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
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-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 (4 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-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 RPS6KA3 552/4885ALDH1A1 1075/4885MAPT 3103/4885
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 RPS6KA3 1607/4885ALDH1A1 234/4885MAPT 4430/4885
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 RPS6KA3 1886/4885ALDH1A1 225/4885MAPT 4608/4885
US-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 RPS6KA3 1344/4885ALDH1A1 3995/4885MAPT 3668/4885

“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.