SCHEMBL1997663

SCHEMBL1997663

CN(C)C=Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
PAX8 Q06710 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL1997660 1.00 PDE10A (0.45) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1092131 0.82 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1092129 0.82 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1092487 0.82 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL9000299 0.80 PDE10A (0.54) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL13351976 0.79 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL8561898 0.79 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL8561899 0.79 PDE10A (0.49) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL27563330 0.78 PDE10A (0.45) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL305885 0.76 PDE10A (0.53) PDE10AALDH1A1POLBPAX8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364459-B2 3-(indolyl)- or 3-(azaindolyl)- 4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarcinoma Johannes Gutenberg-Universität Mainz (DE) 2016-06-14 US disclosed
EP-2512469-B1 3-(INDOLYL)-OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA JOHANNES GUTENBERG UNIVERSITÄT MAINZ (DE) 2016-03-02 EP disclosed
EP-2513089-B1 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT JOHANNES GUTENBERG UNIVERSITÄT MAINZ (DE) 2015-09-09 EP disclosed
US-9012659-B2 3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg—Universitat Mainz (DE) 2015-04-21 US disclosed
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2013-05-23 US disclosed
US-20130029986-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA UNIVERSITATSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2013-01-31 US disclosed
EP-2513089-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2012-10-24 EP disclosed
EP-2512469-A1 3-(INDOLYL)-OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA Johannes Gutenberg-Universität Mainz (DE) 2012-10-24 EP disclosed
EP-2343291-A1 3-(Indolyl)- or 3-(Azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg-Universität Mainz (DE) 2011-07-13 EP disclosed
EP-2338486-A1 3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarcinoma Johannes Gutenberg-Universität Mainz (DE) 2011-06-29 EP disclosed
CN-101801194-A Has 5-HT 63 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-08-11 CN disclosed
EP-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed
CN-1117733-C Process for synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS INC (US) 2003-08-13 CN disclosed
EP-0984932-A4 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2001-04-04 EP disclosed
CN-1256688-A Synthesis method of ribonucleotide reductase inhibitor 3-AP and 3AMP VION PHARMACEUTICALS INC (US) 2000-06-14 CN disclosed
EP-0984932-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP Vion Pharmaceuticals, Inc. (US) 2000-03-15 EP disclosed
US-5869676-A Process for the synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
WO-1998051670-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 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 (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-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B PDE10A 969/4885ALDH1A1 1196/4885POLB 4064/4885
US-20130029986-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA SI, AADAC, INMT PDE10A 3160/4885ALDH1A1 94/4885POLB 3943/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 PDE10A 2302/4885ALDH1A1 116/4885POLB 3704/4885

“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.