SCHEMBL4408381

SCHEMBL4408381

Nc1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
PDE7A Q13946 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL11579276 0.84 ALDH1A1 (0.67) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6313832 0.83 ALDH1A1 (0.53) TDP1MAPTMEN1KMT2APOLB
SCHEMBL2650363 0.83 CRHBP (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL394329 0.81 ALDH1A1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL2654598 0.81 ALDH1A1 (0.50) TDP1MAPTMEN1KMT2APOLB
Sulfur Dioxide SCHEMBL21643667 0.79 ALDH1A1 (0.60) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6313481 0.79 ALDH1A1 (0.60) TDP1MAPTMEN1KMT2APOLB
SCHEMBL2657511 0.79 ERN1 (0.60) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6314467 0.78 ALDH1A1 (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL9681055 0.77 ALDH1A1 (0.46) TDP1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 EP disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed
US-7119090-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2006-10-10 US disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-20040106630-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 US disclosed
US-20040106618-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 US disclosed
US-6696448-B2 USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER, DIABETES, AUTOIMMUNE DISORDERS, HYPERPROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS AND INFLAMMATORY DISORDERS SUGEN, INC. 2004-02-24 US disclosed
US-6696463-B2 FOR THERAPY OF CELL PROLIFERATION, DIFFERENTIATION OR GROWTH DISORDERS, CANCER SUGEN, INC. 2004-02-24 US disclosed
US-6683082-B2 3-HETERO-ARYLIDENE-2-INDOLINONE COMPOUNDS; ANTICANCER AGENTS SUGEN, INC. 2004-01-27 US disclosed
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds SUGEN, INC. 2003-10-30 US disclosed
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 EP disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 EP disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
US-6051593-A USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-04-18 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 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 (3 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-20040106618-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 TDP1 1109/4885MAPT 3296/4885MEN1 3295/4885
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds LCK, ABL1, PNCK TDP1 1411/4885MAPT 1673/4885MEN1 3806/4885
US-20040106630-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 TDP1 1109/4885MAPT 3296/4885MEN1 3295/4885

“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.