SCHEMBL123248

SCHEMBL123248

Cc1nn(-c2ccccn2)c(C)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
CCNA2 P20248 6/20 0.42
CDK2 P24941 6/20 0.42
CCNO P22674 1/20 0.41
CCNE1 P24864 1/20 0.41
CCNA1 P78396 1/20 0.41
MAPK1 P28482 2/20 0.41
SPR P35270 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL29953885 0.85 MAPT (0.50) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL730547 0.85 MAPT (0.50) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL5190922 0.81 HTT (0.48) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL5190253 0.80 HTT (0.71) ALDH1A1HPGDMAPTL3MBTL1GAA
SCHEMBL3320644 0.80 HTT (0.44) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL13600085 0.80 HTT (0.40) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL18949733 0.78 ALDH1A1 (0.55) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL13600097 0.78 CCNA2 (0.41) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL3462043 0.77 KDM4E (0.63) ALDH1A1ALOX15HPGDHSD17B10MAPT
SCHEMBL3460182 0.77 MAPT (0.49) ALDH1A1ALOX15HPGDHSD17B10MAPT

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
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
CN-100358900-C Novel compounds ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
EP-1587809-B1 THIENOPYRIDAZINONE DERIVATIVE AS MODULATORS OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2007-10-10 EP disclosed
US-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB, A SWEDEN CORPORATION 2006-10-05 US disclosed
US-7064126-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
CN-1761670-A Novel compounds ASTRAZENECA AB (SE) 2006-04-19 CN disclosed
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB (SE) 2006-03-09 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 (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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C ALDH1A1 2150/4885ALOX15 1176/4885HPGD 1351/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 ALDH1A1 1205/4885ALOX15 2009/4885HPGD 1218/4885
US-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885ALOX15 246/4885HPGD 335/4885
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885ALOX15 246/4885HPGD 335/4885

“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.